diff --git a/ebcc/ansatz.py b/ebcc/ansatz.py index a617d5df..bed095de 100644 --- a/ebcc/ansatz.py +++ b/ebcc/ansatz.py @@ -17,7 +17,6 @@ "QCISD": ("QCISD", "", 0, 0), "DCD": ("DCD", "", 0, 0), "DCSD": ("DCSD", "", 0, 0), - "CCSDt": ("CCSDt", "", 0, 0), "CCSDt'": ("CCSDt'", "", 0, 0), "CCSD-S-1-1": ("CCSD", "S", 1, 1), "CCSD-SD-1-1": ("CCSD", "SD", 1, 1), diff --git a/ebcc/codegen/GCCSDt.py b/ebcc/codegen/GCCSDt.py deleted file mode 100644 index d5152aba..00000000 --- a/ebcc/codegen/GCCSDt.py +++ /dev/null @@ -1,1550 +0,0 @@ -# Code generated for ebcc. - -from ebcc import numpy as np -from ebcc.util import pack_2e, einsum, Namespace -from ebcc.precision import types - -def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): - # energy - e_cc = 0 - e_cc += einsum(f.ov, (0, 1), t1, (0, 1), ()) - x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x0 += einsum(t2, (0, 1, 2, 3), (0, 1, 2, 3)) - x0 += einsum(t1, (0, 1), t1, (2, 3), (0, 2, 1, 3)) * 2.0 - e_cc += einsum(v.oovv, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 0.25 - del x0 - - return e_cc - -def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs): - nocc = space.ncocc - nvir = space.ncvir - naocc = space.naocc - navir = space.navir - so = np.ones((nocc,), dtype=bool) - sv = np.ones((nvir,), dtype=bool) - sO = space.active[space.correlated][space.occupied[space.correlated]] - sV = space.active[space.correlated][space.virtual[space.correlated]] - sOf = np.ones((naocc,), dtype=bool) - sVf = np.ones((navir,), dtype=bool) - - # T amplitudes - t1new = np.zeros((nocc, nvir), dtype=types[float]) - t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), (0, 1)) - t1new[np.ix_(so,sv)] += einsum(f.oo, (0, 1), t1[np.ix_(so,sv)], (1, 2), (0, 2)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(f.vv, (0, 1), t1[np.ix_(so,sv)], (2, 1), (2, 0)) - t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 3), (4, 2)) * -0.5 - t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 4, 2, 3), (0, 4)) * -0.5 - t1new[np.ix_(so,sv)] += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 2, 3), (4, 5)) * 0.25 - t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - t2new[np.ix_(so,so,sv,sv)] += einsum(v.oovv, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 0, 1), (4, 5, 2, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 2, 3), (0, 1, 4, 5)) * 0.5 - t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=types[float]) - t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 - t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oooV, (4, 5, 0, 6), (4, 5, 1, 2, 3, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.vvvO, (4, 5, 2, 6), (0, 1, 6, 4, 5, 3)) * -1.0 - t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) * 0.5 - t3new += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 1), (4, 5, 0, 6, 7, 3)) * -1.0 - t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (4, 5, 6, 0, 1, 7)) * 0.5 - x0 = np.zeros((nocc, nocc), dtype=types[float]) - x0 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (0, 2), (2, 1)) * -1.0 - x1 = np.zeros((nocc, nocc), dtype=types[float]) - x1 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x1, (0, 2), (2, 1)) * -1.0 - x2 = np.zeros((nvir, nvir), dtype=types[float]) - x2 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x2, (2, 1), (0, 2)) * -1.0 - x3 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x3 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 0, 1, 3), (4, 2)) * 0.5 - x4 = np.zeros((nocc, nocc), dtype=types[float]) - x4 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 2, 3), (0, 4)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (2, 0), (2, 1)) * -0.5 - x5 = np.zeros((nocc, nvir), dtype=types[float]) - x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 0, 3, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) - x6 = np.zeros((nocc, nocc), dtype=types[float]) - x6 += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 1), (0, 2)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 - x7 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x7 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x7, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x7, (0, 1, 2, 3), (1, 0, 3, 2)) - del x7 - x8 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x8 += einsum(f.vv, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x8, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x8, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x8 - x9 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x9, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x9, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x9 - x10 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x10 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x10, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x10, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x10 - x11 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x11 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x11, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x11 - x12 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x12 += einsum(v.oOoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 6, 3), (4, 2, 5, 6)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x12, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 - del x12 - x13 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x13 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 3), (4, 5, 6, 0)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x13, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 - del x13 - x14 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x14 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (1, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x14, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x14, (0, 1, 2, 3), (1, 0, 3, 2)) - del x14 - x15 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x15 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (0, 2, 3, 4)) - x16 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (0, 2, 3, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x16, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x16, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x16 - x17 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x17 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 3, 0, 4), (2, 3, 1, 4)) - del x17 - x18 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x18 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x19 += einsum(t1[np.ix_(so,sv)], (0, 1), x18, (2, 0, 3, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 3, 2)) - del x19 - x20 = np.zeros((nocc, nvir, nvir, nvir), dtype=types[float]) - x20 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x20, (2, 3, 4, 1), (0, 2, 4, 3)) * -1.0 - del x20 - x21 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) - x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x22 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 0, 1, 5), (4, 5, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 - del x22 - x23 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x23 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x24 += einsum(t1[np.ix_(so,sv)], (0, 1), x23, (2, 0, 3, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 3, 2)) - del x24 - x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x25 += einsum(x1, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (1, 0, 3, 2)) - del x25 - x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x26 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x27 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 3), (4, 0, 2, 5)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x27 - x28 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x28 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 2, 3), (0, 1, 4, 5)) - x29 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x29 += einsum(t1[np.ix_(so,sv)], (0, 1), x28, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x29, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x29, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 - del x29 - x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x30 += einsum(x2, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 2, 3)) - del x30 - x31 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x31 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) - x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x32 += einsum(x31, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) - del x31 - t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 - del x32 - x33 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x33 += einsum(v.oOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 3), (4, 5, 0, 6)) - x34 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x34 += einsum(t1[np.ix_(so,sv)], (0, 1), x33, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x34, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 - del x34 - x35 = np.zeros((naocc, navir), dtype=types[float]) - x35 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (0, 2, 1, 3), (2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) - del x35 - x36 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x36 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) - x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x37 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x36, (4, 1, 5, 3), (4, 0, 5, 2)) - del x36 - t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x37 - x38 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x38 += einsum(x4, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x38, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x38, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 - del x38 - x39 = np.zeros((nvir, nvir), dtype=types[float]) - x39 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (0, 1, 4, 3), (2, 4)) - x40 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x40 += einsum(x39, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x40, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x40, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 - del x40 - x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) - x41 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (0, 1, 4, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.25 - t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.25 - x42 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x42 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 - x43 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x43 += einsum(t1[np.ix_(so,sv)], (0, 1), x42, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 - del x42 - t2new[np.ix_(so,so,sv,sv)] += einsum(x43, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x43, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x43 - x44 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x44 += einsum(t1[np.ix_(so,sv)], (0, 1), x26, (2, 3, 4, 1), (2, 0, 3, 4)) * -1.0 - x45 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x45 += einsum(t1[np.ix_(so,sv)], (0, 1), x44, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x45, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x45, (0, 1, 2, 3), (0, 1, 3, 2)) - del x45 - x46 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) - x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x3, (2, 3, 4, 1), (2, 0, 4, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x46, (4, 5, 0, 1), (5, 4, 2, 3)) * -0.5 - t3new += einsum(x46, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) * -0.5 - x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x3, (4, 1, 5, 3), (4, 0, 5, 2)) - x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x48 += einsum(t1[np.ix_(so,sv)], (0, 1), x47, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x48 - x49 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x49 += einsum(x6, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x49, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x49 - x50 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x50 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x50, (2, 3, 0, 4), (2, 3, 1, 4)) * 0.5 - del x50 - x51 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x51 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x52 += einsum(t1[np.ix_(so,sv)], (0, 1), x51, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 3, 2)) - del x52 - x53 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x53 += einsum(t1[np.ix_(so,sv)], (0, 1), x46, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x53, (2, 3, 0, 4), (3, 2, 1, 4)) * -1.0 - del x53 - x54 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x54 += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x54, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x54 - x55 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x55 += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x55, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x55 - x56 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x56 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 4, 5, 6), (6, 3, 0, 5, 2, 4)) - t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x56, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x56 - x57 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x57 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOoV, (4, 5, 1, 6), (5, 6, 0, 4, 2, 3)) - t3new += einsum(x57, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x57, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x57 - x58 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x58 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - t3new += einsum(x58, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x58, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x58 - x59 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x59 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 5, 6), (1, 6, 0, 4, 2, 5)) - t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x59, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x59 - x60 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x60 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new += einsum(x60, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x60, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x60 - x61 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x61 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vOvV, (3, 4, 5, 6), (4, 6, 0, 1, 2, 5)) - t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x61, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x61 - x62 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x62 += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 3, 5, 6, 7), (1, 7, 4, 0, 5, 6)) - t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x62, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x62 - x63 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x63 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x63, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x63 - x64 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x64 += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 7, 1), (5, 3, 4, 0, 6, 7)) - t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x64, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x64 - x65 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x65 += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 6, 0)) - t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x65, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x65 - x66 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x66 += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 7, 0)) - t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x66, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - del x66 - x67 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x67 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) - del x0 - t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x67, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x67 - x68 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x68 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - x69 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x69 += einsum(t1[np.ix_(so,sv)], (0, 1), x68, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) - del x68 - t3new += einsum(x69, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x69, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x69 - x70 = np.zeros((navir, navir), dtype=types[float]) - x70 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) - t3new += einsum(x70, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 - del x70 - x71 = np.zeros((naocc, naocc), dtype=types[float]) - x71 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) - t3new += einsum(x71, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 - del x71 - x72 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x72 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) - x73 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x73 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x72, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) - del x72 - t3new += einsum(x73, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x73, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x73 - x74 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x74 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x15, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) - del x15 - t3new += einsum(x74, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x74, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x74 - x75 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x75 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 - x76 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x76 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x75, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x75 - t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x76, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x76 - x77 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x77 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x77, (4, 0, 5, 6), (5, 6, 1, 2, 3, 4)) * -1.0 - del x77 - x78 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x78 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) * -1.0 - x79 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x79 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x78, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) - del x78 - t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x79, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x79 - x80 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x80 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - x81 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x81 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x80, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x80 - t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x81, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x81 - x82 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x82 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvO, (4, 5, 2, 6), (6, 3, 0, 1, 4, 5)) - x83 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x83 += einsum(t1[np.ix_(so,sv)], (0, 1), x82, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x82 - t3new += einsum(x83, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x83, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x83 - x84 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x84 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - x85 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x85 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x84, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x84 - t3new += einsum(x85, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x85, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x85 - x86 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x86 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) - x87 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x87 += einsum(t1[np.ix_(so,sv)], (0, 1), x86, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x86 - t3new += einsum(x87, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x87, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x87 - x88 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x88 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x89 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x89 += einsum(t1[np.ix_(so,sv)], (0, 1), x88, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x88 - t3new += einsum(x89, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x89, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x89 - x90 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x90 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) * -1.0 - x91 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x91 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 - del x90 - t3new += einsum(x91, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x91, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x91 - x92 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x92 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x18, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) - del x18 - t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x92, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x92 - x93 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x93 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) - x94 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x94 += einsum(t1[np.ix_(so,sv)], (0, 1), x93, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x93 - t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x94, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x94 - x95 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x95 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x96 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x96 += einsum(t1[np.ix_(so,sv)], (0, 1), x95, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x95 - t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x96, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x96 - x97 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x97 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) * -1.0 - x98 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x98 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x97, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) * -1.0 - del x97 - t3new += einsum(x98, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x98, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x98 - x99 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x99 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) * -1.0 - x100 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x100 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x99, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x99 - t3new += einsum(x100, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x100, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x100 - x101 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x101 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x101, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 - del x101 - x102 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x102 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) - x103 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x103 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x102, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 - del x102 - t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x103, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x103 - x104 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x104 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) * -1.0 - x105 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x105 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x104, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - del x104 - t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x105 - x106 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=types[float]) - x106 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x107 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x107 += einsum(t1[np.ix_(so,sv)], (0, 1), x106, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x106 - t3new += einsum(x107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x107 - x108 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x108 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x109 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x108, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) - del x108 - t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x109 - x110 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x110 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x111 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x110, (4, 1, 5, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x110 - t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x111 - x112 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x112 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x113 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x112, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 - del x112 - t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x113 - x114 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x114 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x114, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) - del x114 - x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x115 += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 4, 5, 6, 7), (4, 7, 0, 3, 5, 6)) - t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x115 - x116 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x116 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) - x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x117 += einsum(x116, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 7), (1, 7, 2, 4, 5, 6)) - del x116 - t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x117 - x118 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x118 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x119 += einsum(t1[np.ix_(so,sv)], (0, 1), x118, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x118 - t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x119 - x120 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x120 += einsum(x1, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (3, 6, 2, 1, 4, 5)) * -1.0 - del x1 - t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x120 - x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x121 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 2, 7), (3, 7, 4, 5, 0, 6)) - x122 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x122 += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x121 - t3new += einsum(x122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x122 - x123 = np.zeros((naocc, naocc), dtype=types[float]) - x123 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 - del x123 - x124 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x124 += einsum(x26, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) * -1.0 - del x26 - t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x124, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x124 - x125 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x125 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) - x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x126 += einsum(t1[np.ix_(so,sv)], (0, 1), x125, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x125 - t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x126 - x127 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x127 += einsum(x2, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 - del x2 - t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x127 - x128 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x128 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - x129 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x129 += einsum(x128, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x128 - t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x129 - x130 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x130 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 3), (6, 1, 4, 5, 0, 7)) - x131 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x131 += einsum(t1[np.ix_(so,sv)], (0, 1), x130, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x130 - t3new += einsum(x131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x131 - x132 = np.zeros((navir, navir), dtype=types[float]) - x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x132, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) - del x132 - x133 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x133 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) * -1.0 - x134 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x134 += einsum(x133, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) * -1.0 - del x133 - t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x134, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x134 - x135 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x135 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) * -1.0 - t3new += einsum(x135, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x135 - x136 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x136 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) * -1.0 - x137 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x137 += einsum(x136, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 2, 1), (6, 0, 4, 5, 7, 3)) - del x136 - t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - del x137 - x138 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x138 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x139 += einsum(x138, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 1, 5, 6, 7), (0, 7, 4, 3, 5, 6)) - del x138 - t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x139 - x140 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x140 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) * -1.0 - x141 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x141 += einsum(x140, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) * -1.0 - del x140 - t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x141, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x141 - x142 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x142 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) * -1.0 - t3new += einsum(x142, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x142 - x143 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (4, 1, 3, 5), (5, 0, 4, 2)) * -1.0 - x144 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x144 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x143, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x143 - t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x144 - x145 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x145 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 1, 2, 5), (5, 3, 0, 4)) - x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x146 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x145, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x145 - t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x146 - x147 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x147 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (0, 1, 4, 5), (5, 3, 2, 4)) - x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x148 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x147, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x147 - t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - del x148 - x149 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x149 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovO, (0, 1, 4, 5), (5, 2, 3, 4)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x149, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * -0.5 - del x149 - x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x150 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x23, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) - del x23 - t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x150 - x151 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x151 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x152 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x151, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) * -1.0 - del x151 - t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x152 - x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x153 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x154 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x153, (4, 5, 6, 1, 0, 7), (4, 5, 6, 7, 2, 3)) * -1.0 - t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x154 - x155 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x155 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - x156 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x156 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x155, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) - del x155 - t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x156 - x157 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x157 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x158 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 - del x157 - t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x158 - x159 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x159 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (0, 1, 4, 5), (3, 4, 2, 5)) * -1.0 - x160 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x160 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x159, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x159 - t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x160, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - del x160 - x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x161 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x162 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x162 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x161, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) * -1.0 - t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x162, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x162 - x163 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x163 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - x164 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x164 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x163, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 - del x163 - t3new += einsum(x164, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x164, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x164 - x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x165 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x28, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x28 - t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - del x165 - x166 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x166 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 2, 3), (1, 0, 4, 5)) * -1.0 - x167 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x167 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x166, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x166 - t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - del x167 - x168 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x168 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 - x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x169 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x168 - t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x169 - x170 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x170 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x171 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x170, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) - del x170 - t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x171 - x172 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x172 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvv, (1, 4, 5, 3), (4, 0, 2, 5)) * -1.0 - x173 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x173 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x172 - t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x173, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x173 - x174 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x174 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 2, 3), (1, 5, 0, 4)) - x175 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x175 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x174, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x174 - t3new += einsum(x175, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x175, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x175 - x176 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x176 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (0, 4, 5, 3), (1, 4, 2, 5)) - x177 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x177 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x176, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x176 - t3new += einsum(x177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x177 - x178 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x178 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 2, 3), (5, 0, 1, 4)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 - del x178 - x179 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x179 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 4, 5, 3, 6), (4, 6, 5, 2)) - x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x180 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x179 - t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x180 - x181 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x181 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 2, 3, 6), (5, 6, 4, 0)) - x182 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x182 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x181 - t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x182 - x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x183 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) - x184 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x184 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x183, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x183 - t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x184, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x184 - x185 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x185 += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 - del x4 - t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x185 - x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x186 += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 3, 7), (6, 7, 4, 5, 0, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x186, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) * 0.25 - x187 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x187 += einsum(x39, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 - del x39 - t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x187, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x187 - x188 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x188 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 4, 5, 6, 3), (4, 5, 6, 2)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x188, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 0.5 - del x188 - x189 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x189 += einsum(v.oovV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 2, 3), (5, 4, 0, 6)) * -1.0 - x190 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x190 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x189, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x189 - t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x190 - x191 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x191 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (4, 1, 2, 5), (3, 5, 0, 4)) - x192 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x192 += einsum(x191, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 - del x191 - t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x192, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x192 - x193 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x193 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 4, 5), (3, 5, 2, 4)) - x194 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x194 += einsum(x193, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x193 - t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.25 - t3new += einsum(x194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 - del x194 - x195 = np.zeros((navir, navir), dtype=types[float]) - x195 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovV, (0, 1, 2, 4), (3, 4)) - t3new += einsum(x195, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 - del x195 - x196 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x196 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 1, 5, 3, 6), (6, 4, 5, 2)) * -1.0 - x197 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x197 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x196, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x196 - t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x197 - x198 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x198 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (4, 5, 2, 3), (1, 5, 0, 4)) - x199 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x199 += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x198 - t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.25 - t3new += einsum(x199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.25 - del x199 - x200 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x200 += einsum(v.oOvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 2, 3, 6), (6, 4, 5, 0)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x200, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * 0.5 - del x200 - x201 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x201 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 5, 3), (1, 4, 2, 5)) - x202 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x202 += einsum(x201, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 - del x201 - t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x202 - x203 = np.zeros((naocc, naocc), dtype=types[float]) - x203 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oOvv, (0, 4, 2, 3), (1, 4)) - t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -0.5 - del x203 - x204 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) - x204 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (4, 5, 2, 6), (1, 5, 3, 6, 0, 4)) - x205 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x205 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x204, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) - del x204 - t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x205, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x205 - x206 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x206 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x33, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x33 - t3new += einsum(x206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x206 - x207 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x207 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oOvV, (0, 4, 2, 5), (1, 4, 3, 5)) - t3new += einsum(x207, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x207 - x208 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x208 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - x209 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x209 += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 0), (2, 3, 4, 1)) - del x208 - x210 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x210 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x209, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x209 - t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x210 - x211 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x211 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 5, 2, 6), (6, 3, 0, 1, 4, 5)) - x212 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x212 += einsum(t1[np.ix_(so,sv)], (0, 1), x211, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x211 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x212, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x212 - x213 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x213 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x21, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) * -1.0 - del x21 - x214 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x214 += einsum(t1[np.ix_(so,sv)], (0, 1), x213, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x213 - t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x214 - x215 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x215 += einsum(t1[np.ix_(so,sv)], (0, 1), x153, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 6, 1)) - del x153 - x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x216 += einsum(t1[np.ix_(so,sv)], (0, 1), x215, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 6, 1)) * -1.0 - del x215 - t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x216 - x217 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x217 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x44, (4, 5, 0, 6), (1, 3, 5, 4, 2, 6)) * -1.0 - del x44 - t3new += einsum(x217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x217 - x218 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x218 += einsum(t1[np.ix_(so,sv)], (0, 1), x161, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x161 - x219 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x219 += einsum(t1[np.ix_(so,sv)], (0, 1), x218, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x218 - t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x219 - x220 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x220 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 - x221 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x221 += einsum(t1[np.ix_(so,sv)], (0, 1), x220, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x221, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 - del x221 - x222 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x222 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x220, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - del x220 - x223 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x223 += einsum(t1[np.ix_(so,sv)], (0, 1), x222, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x222 - t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x223, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x223 - x224 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x224 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovO, (2, 0, 3, 4), (4, 1, 2, 3)) * -1.0 - x225 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x225 += einsum(t1[np.ix_(so,sv)], (0, 1), x224, (2, 3, 4, 1), (2, 3, 0, 4)) - x226 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x226 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x225, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x225 - t3new += einsum(x226, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x226, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x226 - x227 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x227 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x224, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x224 - x228 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x228 += einsum(t1[np.ix_(so,sv)], (0, 1), x227, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - del x227 - t3new += einsum(x228, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x228, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x228 - x229 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x229 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x230 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x230 += einsum(t1[np.ix_(so,sv)], (0, 1), x229, (2, 3, 4, 1), (2, 0, 3, 4)) - x231 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x231 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x230, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) - del x230 - t3new += einsum(x231, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x231, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x231 - x232 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x232 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x229, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x229 - x233 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x233 += einsum(t1[np.ix_(so,sv)], (0, 1), x232, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - del x232 - t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x233, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x233 - x234 = np.zeros((navir, nvir, nvir, nvir), dtype=types[float]) - x234 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x235 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x235 += einsum(t1[np.ix_(so,sv)], (0, 1), x234, (2, 3, 4, 1), (2, 0, 3, 4)) - del x234 - x236 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x236 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x235, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - del x235 - t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x236, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x236 - x237 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x237 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x238 += einsum(t1[np.ix_(so,sv)], (0, 1), x237, (2, 3, 0, 4), (2, 3, 4, 1)) - del x237 - x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x239 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) - del x238 - t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x239 - x240 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x240 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x241 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x241 += einsum(t1[np.ix_(so,sv)], (0, 1), x240, (2, 3, 4, 1), (2, 0, 3, 4)) * -1.0 - x242 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x242 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x241, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x241 - t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x242, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x242 - x243 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x243 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) - del x240 - x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x244 += einsum(t1[np.ix_(so,sv)], (0, 1), x243, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x243 - t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x244 - x245 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x245 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 - x246 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x246 += einsum(t1[np.ix_(so,sv)], (0, 1), x245, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x247 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x247 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x246, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x246 - t3new += einsum(x247, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x247, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x247 - x248 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x248 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x245, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x245 - x249 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x249 += einsum(t1[np.ix_(so,sv)], (0, 1), x248, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x248 - t3new += einsum(x249, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x249, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x249 - x250 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x250 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) - x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x251 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) * -1.0 - del x250 - t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x251 - x252 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x252 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) - x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x253 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x252, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 - del x252 - t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x253 - x254 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x254 += einsum(x3, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x255 += einsum(t1[np.ix_(so,sv)], (0, 1), x254, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x254 - t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x255 - x256 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x256 += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 - del x6 - t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x256, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x256 - x257 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x257 += einsum(t1[np.ix_(so,sv)], (0, 1), x186, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x186 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x257, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 - del x257 - x258 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x258 += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 - x259 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x259 += einsum(t1[np.ix_(so,sv)], (0, 1), x258, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x258 - t3new += einsum(x259, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x259, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x259 - x260 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) - x260 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovV, (2, 0, 3, 4), (1, 4, 2, 3)) * -1.0 - x261 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x261 += einsum(t1[np.ix_(so,sv)], (0, 1), x260, (2, 3, 4, 1), (2, 3, 0, 4)) - x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x262 += einsum(x261, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) * -1.0 - del x261 - t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x262 - x263 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x263 += einsum(x260, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x260 - x264 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x264 += einsum(t1[np.ix_(so,sv)], (0, 1), x263, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - del x263 - t3new += einsum(x264, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x264, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x264 - x265 = np.zeros((navir, nocc), dtype=types[float]) - x265 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovV, (2, 0, 1, 3), (3, 2)) * -1.0 - x266 = np.zeros((navir, navir), dtype=types[float]) - x266 += einsum(t1[np.ix_(so,sV)], (0, 1), x265, (2, 0), (1, 2)) - del x265 - t3new += einsum(x266, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.0 - del x266 - x267 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) - x267 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (0, 3, 2, 4)) * -1.0 - x268 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x268 += einsum(t1[np.ix_(so,sv)], (0, 1), x267, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x269 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x269 += einsum(x268, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x268 - t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x269, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x269 - x270 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x270 += einsum(x267, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) * -1.0 - del x267 - x271 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x271 += einsum(t1[np.ix_(so,sv)], (0, 1), x270, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x270 - t3new += einsum(x271, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x271, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x271 - x272 = np.zeros((naocc, nvir), dtype=types[float]) - x272 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvv, (0, 2, 3, 1), (2, 3)) * -1.0 - x273 = np.zeros((naocc, naocc), dtype=types[float]) - x273 += einsum(t1[np.ix_(sO,sv)], (0, 1), x272, (2, 1), (0, 2)) - del x272 - t3new += einsum(x273, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 - del x273 - x274 = np.zeros((naocc, naocc, navir, nocc), dtype=types[float]) - x274 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (0, 3, 4, 2)) - x275 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x275 += einsum(t1[np.ix_(so,sV)], (0, 1), x274, (2, 3, 4, 0), (2, 3, 1, 4)) - del x274 - t3new += einsum(x275, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 - del x275 - x276 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x276 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x47 - t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x276, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x276 - x277 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x277 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 0, 5, 2), (1, 3, 4, 5)) - x278 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x278 += einsum(t1[np.ix_(so,sv)], (0, 1), x277, (2, 3, 4, 1), (2, 3, 0, 4)) - x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x279 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x278 - t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x279 - x280 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x280 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x281 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x281 += einsum(t1[np.ix_(so,sv)], (0, 1), x280, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 6, 5)) * -1.0 - x282 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x282 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x281, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) - t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x282, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x282 - x283 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x283 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x3, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - x284 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x284 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x283, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x283 - t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x284, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x284 - x285 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x285 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x286 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x286 += einsum(t1[np.ix_(so,sv)], (0, 1), x285, (2, 3, 4, 1), (2, 0, 3, 4)) - x287 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x287 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x286, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x286 - t3new += einsum(x287, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x287, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x287 - x288 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x288 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x3, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - del x3 - x289 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x289 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x288, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - del x288 - t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x289, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 - del x289 - x290 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x290 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) * -1.0 - del x280 - x291 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x291 += einsum(t1[np.ix_(so,sv)], (0, 1), x290, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x290 - t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x291, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x291 - x292 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x292 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x277, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x277 - x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x293 += einsum(t1[np.ix_(so,sv)], (0, 1), x292, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x292 - t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x293 - x294 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 - del x41 - x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x295 += einsum(t1[np.ix_(so,sv)], (0, 1), x294, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x294 - t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x295 - x296 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x296 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 2, 3), (1, 0, 4, 5)) * -1.0 - x297 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x297 += einsum(t1[np.ix_(so,sv)], (0, 1), x296, (2, 3, 4, 0), (2, 3, 4, 1)) - del x296 - x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x298 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x297, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x297 - t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x298 - x299 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x299 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x285, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x285 - x300 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x300 += einsum(t1[np.ix_(so,sv)], (0, 1), x299, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x299 - t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x300 - x301 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x301 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 - x302 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x302 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x301, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) - del x301 - x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x303 += einsum(t1[np.ix_(so,sv)], (0, 1), x302, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x302 - t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x303 - x304 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x304 += einsum(x5, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) * -1.0 - x305 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x305 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x304 - t3new += einsum(x305, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x305 - x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x306 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x51, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) * -1.0 - del x51 - t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x306 - x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x307 += einsum(x5, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) - x308 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x308 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x307 - t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x308, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x308 - x309 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x309 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 2, 3, 0)) - del x5 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x309, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) - del x309 - x310 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x310 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) - x311 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x311 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x310, (4, 1, 3, 5), (4, 0, 2, 5)) - x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x312 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x311, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x311 - t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x312 - x313 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x313 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x310, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 - x314 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x314 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x313 - t3new += einsum(x314, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x314 - x315 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x315 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x310, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 - x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x316 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x315, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x315 - t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x316 - x317 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x317 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x310, (4, 5, 2, 3), (4, 0, 1, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x317, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -0.5 - del x317 - x318 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x318 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - x319 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x319 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 1, 5, 3), (4, 0, 5, 2)) - x320 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x320 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x319, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x319 - t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x320, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x320 - x321 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x321 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 - x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x322 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x321, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x321 - t3new += einsum(x322, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x322, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x322 - x323 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x323 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 - x324 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x324 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x323 - t3new += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - del x324 - x325 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x325 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 0, 1, 5), (4, 2, 3, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x325, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * -0.5 - del x325 - x326 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x326 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x46, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - del x46 - x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x327 += einsum(t1[np.ix_(so,sv)], (0, 1), x326, (2, 3, 4, 5, 0, 6), (2, 3, 5, 4, 1, 6)) * -1.0 - del x326 - t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x327 - x328 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x328 += einsum(t1[np.ix_(so,sv)], (0, 1), x281, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x281 - x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x329 += einsum(t1[np.ix_(so,sv)], (0, 1), x328, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 6, 1)) * -1.0 - del x328 - t3new += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x329 - x330 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x330 += einsum(t1[np.ix_(so,sv)], (0, 1), x310, (2, 3, 1, 4), (2, 0, 3, 4)) * -1.0 - del x310 - x331 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x331 += einsum(t1[np.ix_(so,sv)], (0, 1), x330, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 0), (5, 6, 1, 2, 3, 4)) * -1.0 - del x331 - x332 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x332 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - del x330 - x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x333 += einsum(t1[np.ix_(so,sv)], (0, 1), x332, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - del x332 - t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x333 - x334 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x334 += einsum(t1[np.ix_(so,sv)], (0, 1), x318, (2, 3, 4, 1), (2, 0, 4, 3)) - x335 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x335 += einsum(t1[np.ix_(so,sv)], (0, 1), x334, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - del x334 - x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x336 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x335, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x335 - t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x336 - x337 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x337 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x318, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 - del x318 - x338 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x338 += einsum(t1[np.ix_(so,sv)], (0, 1), x337, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x337 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x338, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x338 - x339 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x339 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.oovv, (4, 0, 5, 3), (2, 1, 4, 5)) - x340 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x340 += einsum(t1[np.ix_(so,sv)], (0, 1), x339, (2, 3, 4, 1), (2, 3, 0, 4)) * -1.0 - x341 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x341 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x340, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x340 - t3new += einsum(x341, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x341, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x341 - x342 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x342 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x339, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x339 - x343 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x343 += einsum(t1[np.ix_(so,sv)], (0, 1), x342, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - del x342 - t3new += einsum(x343, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x343, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x343 - - return {"t1new": t1new, "t2new": t2new, "t3new": t3new} - diff --git a/ebcc/codegen/RCCSDt.py b/ebcc/codegen/RCCSDt.py deleted file mode 100644 index 5ce95241..00000000 --- a/ebcc/codegen/RCCSDt.py +++ /dev/null @@ -1,3121 +0,0 @@ -# Code generated for ebcc. - -from ebcc import numpy as np -from ebcc.util import pack_2e, einsum, Namespace -from ebcc.precision import types - -def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): - # energy - x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -0.5 - x0 += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - e_cc = 0 - e_cc += einsum(t2, (0, 1, 2, 3), x0, (0, 1, 2, 3), ()) * 2.0 - x1 = np.zeros((nocc, nvir), dtype=types[float]) - x1 += einsum(f.ov, (0, 1), (0, 1)) - x1 += einsum(t1, (0, 1), x0, (0, 2, 1, 3), (2, 3)) - del x0 - e_cc += einsum(t1, (0, 1), x1, (0, 1), ()) * 2.0 - del x1 - - return e_cc - -def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs): - nocc = space.ncocc - nvir = space.ncvir - naocc = space.naocc - navir = space.navir - so = np.ones((nocc,), dtype=bool) - sv = np.ones((nvir,), dtype=bool) - sO = space.active[space.correlated][space.occupied[space.correlated]] - sV = space.active[space.correlated][space.virtual[space.correlated]] - sOf = np.ones((naocc,), dtype=bool) - sVf = np.ones((navir,), dtype=bool) - - # T amplitudes - t1new = np.zeros((nocc, nvir), dtype=types[float]) - t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), (0, 1)) - t1new[np.ix_(so,sv)] += einsum(f.oo, (0, 1), t1[np.ix_(so,sv)], (1, 2), (0, 2)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(f.vv, (0, 1), t1[np.ix_(so,sv)], (2, 1), (2, 0)) - t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * 2.0 - t1new[np.ix_(so,sv)] += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 2, 4, 3), (0, 4)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 5, 1, 3), (4, 5)) * 0.5 - t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 2, 1), (4, 5)) * -0.5 - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 1, 5, 3), (4, 5)) * -0.25 - t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 1), (4, 5)) * 0.25 - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 2, 5, 1, 3), (4, 5)) - t1new[np.ix_(so,sv)] += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 2, 1, 5, 3), (4, 5)) * 0.25 - t1new[np.ix_(so,sv)] += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 1), (4, 5)) * -0.25 - t2new = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - t2new[np.ix_(so,so,sv,sv)] += einsum(v.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oooo, (4, 1, 5, 0), (4, 5, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) - t3new = np.zeros((nocc, nocc, naocc, nvir, nvir, navir), dtype=types[float]) - t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -1.0 - t3new += einsum(f.oo, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -1.0 - t3new += einsum(f.OO, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -1.0 - t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) - t3new += einsum(f.vv, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) - t3new += einsum(f.VV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 1, 5, 6), (4, 0, 6, 5, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oovO, (4, 0, 5, 6), (1, 4, 6, 5, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 5, 0, 6), (1, 4, 6, 2, 5, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOoV, (1, 4, 5, 6), (5, 0, 4, 3, 2, 6)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oooV, (4, 0, 5, 6), (5, 4, 1, 3, 2, 6)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 5, 2, 6), (0, 4, 1, 3, 5, 6)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 6, 3), (4, 0, 1, 6, 2, 5)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvv, (4, 5, 6, 2), (4, 0, 1, 3, 6, 5)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.vvvO, (4, 2, 5, 6), (1, 0, 6, 5, 4, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vOvV, (4, 5, 2, 6), (0, 1, 5, 4, 3, 6)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 6), (4, 5, 1, 3, 6, 2)) - t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 0.5 - t3new += einsum(v.oOoO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 1, 5, 6, 7), (0, 4, 3, 5, 6, 7)) * -0.5 - t3new += einsum(v.ooOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) - t3new += einsum(v.oooo, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 - t3new += einsum(v.oovv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 - t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -1.0 - t3new += einsum(v.ooVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -1.0 - t3new += einsum(v.oVoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) - t3new += einsum(v.vOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) - t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -1.0 - t3new += einsum(v.vvOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -1.0 - t3new += einsum(v.OOVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 - t3new += einsum(v.vvvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) - t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 0.5 - t3new += einsum(v.vVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 7, 1), (4, 5, 6, 0, 7, 3)) * -0.5 - t3new += einsum(v.vvVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) - t3new += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 3), (4, 0, 5, 6, 1, 7)) * -1.0 - t3new += einsum(v.vOOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -1.0 - t3new += einsum(v.oVOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -1.0 - t3new += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) - x0 = np.zeros((nocc, nvir), dtype=types[float]) - x0 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 0, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), (0, 1)) * 2.0 - t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * 4.0 - t1new[np.ix_(so,sv)] += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) * -2.0 - x1 = np.zeros((nocc, nvir), dtype=types[float]) - x1 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 0, 2), (4, 3)) - t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -1.5 - t1new[np.ix_(so,sv)] += einsum(x1, (0, 1), (0, 1)) * -0.5 - del x1 - x2 = np.zeros((nocc, nvir), dtype=types[float]) - x2 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 2), (4, 3)) - t1new[np.ix_(so,sv)] += einsum(x2, (0, 1), (0, 1)) * 0.5 - t1new[np.ix_(so,sv)] += einsum(x2, (0, 1), (0, 1)) * 0.5 - del x2 - x3 = np.zeros((nocc, nvir), dtype=types[float]) - x3 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (1, 3, 4, 2), (0, 4)) - t1new[np.ix_(so,sv)] += einsum(x3, (0, 1), (0, 1)) - t1new[np.ix_(so,sv)] += einsum(x3, (0, 1), (0, 1)) - del x3 - x4 = np.zeros((nocc, nocc), dtype=types[float]) - x4 += einsum(f.ov, (0, 1), t1[np.ix_(so,sv)], (2, 1), (0, 2)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 - t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -1.0 - t3new += einsum(x4, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -1.0 - x5 = np.zeros((nocc, nocc), dtype=types[float]) - x5 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x5, (2, 0), (2, 1)) - t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) - t3new += einsum(x5, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) - x6 = np.zeros((nocc, nocc), dtype=types[float]) - x6 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 0, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x6, (2, 0), (2, 1)) * -2.0 - t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new += einsum(x6, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x7 = np.zeros((nvir, nvir), dtype=types[float]) - x7 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 2, 3, 1), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x7, (1, 2), (0, 2)) * -1.0 - t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -1.0 - t3new += einsum(x7, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -1.0 - x8 = np.zeros((nvir, nvir), dtype=types[float]) - x8 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (0, 1, 2, 3), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x8, (2, 1), (0, 2)) * 2.0 - t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new += einsum(x8, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - x9 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x9 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) - x10 = np.zeros((nocc, nvir), dtype=types[float]) - x10 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 1, 2), (4, 3)) - t1new[np.ix_(so,sv)] += einsum(x10, (0, 1), (0, 1)) * -1.5 - t1new[np.ix_(so,sv)] += einsum(x10, (0, 1), (0, 1)) * -0.5 - del x10 - x11 = np.zeros((nocc, nvir), dtype=types[float]) - x11 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 1, 3), (4, 2)) - t1new[np.ix_(so,sv)] += einsum(x11, (0, 1), (0, 1)) * 0.5 - t1new[np.ix_(so,sv)] += einsum(x11, (0, 1), (0, 1)) * 0.5 - del x11 - x12 = np.zeros((nocc, nocc), dtype=types[float]) - x12 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 3), (0, 4)) - t3new += einsum(x12, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x13 = np.zeros((nocc, nvir), dtype=types[float]) - x13 += einsum(t1[np.ix_(so,sv)], (0, 1), x12, (2, 0), (2, 1)) - t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 - t1new[np.ix_(so,sv)] += einsum(x13, (0, 1), (0, 1)) * -1.0 - del x13 - x14 = np.zeros((nocc, nocc), dtype=types[float]) - x14 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 2), (0, 4)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x14, (2, 0), (2, 1)) - t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) - t3new += einsum(x14, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) - x15 = np.zeros((nocc, nvir), dtype=types[float]) - x15 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovov, (2, 1, 0, 3), (2, 3)) - t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 1), (2, 3)) * -2.0 - t1new[np.ix_(so,sv)] += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 1, 3), (2, 3)) - x16 = np.zeros((nocc, nocc), dtype=types[float]) - x16 += einsum(t1[np.ix_(so,sv)], (0, 1), x15, (2, 1), (0, 2)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x16, (2, 0), (2, 1)) - t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) - t3new += einsum(x16, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) - x17 = np.zeros((nocc, nocc), dtype=types[float]) - x17 += einsum(t1[np.ix_(so,sv)], (0, 1), x0, (2, 1), (0, 2)) - t1new[np.ix_(so,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x17, (2, 0), (2, 1)) * -2.0 - t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new += einsum(x17, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x18 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x18 += einsum(f.oo, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x18, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x18 - x19 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x19 += einsum(f.vv, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x19, (0, 1, 2, 3), (0, 1, 3, 2)) - del x19 - x20 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x20 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x20, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x20, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x20 - x21 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x21 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x21, (0, 1, 2, 3), (1, 0, 2, 3)) - t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) - t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 2, 6, 7), (4, 0, 5, 6, 3, 7)) * -1.0 - t3new += einsum(x21, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 - x22 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x22 += einsum(f.OV, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x22, (0, 1, 2, 3), (1, 0, 3, 2)) - del x22 - x23 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x23 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x23, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x23, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x23 - x24 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x24 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oovv, (4, 1, 5, 2), (0, 4, 3, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x24, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x24 - x25 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x25 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x25, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x25, (4, 1, 5, 3), (4, 0, 5, 2)) * 4.0 - del x25 - x26 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x26 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 2), (0, 4, 3, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x26, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 2), (4, 0, 5, 3)) - x27 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x27 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x27, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - del x27 - x28 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x28 += einsum(v.ooOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 2, 5, 6, 3), (4, 0, 5, 6)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x28, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 - del x28 - x29 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x29 += einsum(v.oovO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 3, 2, 5, 6), (6, 4, 0, 5)) - t2new[np.ix_(so,so,sV,sv)] += einsum(x29, (0, 1, 2, 3), (2, 1, 0, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sV)] += einsum(x29, (0, 1, 2, 3), (1, 2, 3, 0)) * 0.5 - del x29 - x30 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x30 += einsum(v.vOvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 0, 6, 3), (4, 5, 6, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (0, 1, 3, 2)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x30, (0, 1, 2, 3), (1, 0, 2, 3)) * -0.5 - del x30 - x31 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x31 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (4, 5, 6, 0)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (0, 1, 3, 2)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x31, (0, 1, 2, 3), (1, 0, 2, 3)) * 0.5 - del x31 - x32 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x32 += einsum(v.vvOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (4, 5, 6, 0)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x32, (0, 1, 2, 3), (1, 0, 3, 2)) - del x32 - x33 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x33 += einsum(x4, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 0, 3, 4), (1, 2, 3, 4)) - del x4 - t2new[np.ix_(so,so,sv,sv)] += einsum(x33, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x33, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x33 - x34 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x34 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x34, (0, 4, 5, 6), (5, 4, 1, 3, 6, 2)) - x35 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x35 += einsum(t1[np.ix_(so,sv)], (0, 1), x34, (0, 2, 3, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x35, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x35 - x36 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x36 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x36, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) - x37 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x37 += einsum(t1[np.ix_(so,sv)], (0, 1), x36, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x37, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x37 - x38 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x38 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x38, (2, 0, 3, 4), (2, 3, 1, 4)) - del x38 - x39 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x39 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x39, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x39, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x39 - x40 = np.zeros((nocc, nvir, nvir, nvir), dtype=types[float]) - x40 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x40, (2, 3, 1, 4), (0, 2, 3, 4)) - del x40 - x41 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) - x41 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 2, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) - t3new += einsum(x41, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) - x42 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x42 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 1), (4, 5, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x42, (0, 1, 2, 3), (1, 0, 2, 3)) - del x42 - x43 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x43 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (0, 4, 5, 3)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x43, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 - x44 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x44 += einsum(t1[np.ix_(so,sv)], (0, 1), x43, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x44, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x44, (0, 1, 2, 3), (1, 0, 3, 2)) - del x44 - x45 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x45 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x45, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * 2.0 - x46 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x46 += einsum(t1[np.ix_(so,sv)], (0, 1), x45, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x46 - x47 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x47 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 2), (0, 4, 5, 3)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x48 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x48 += einsum(t1[np.ix_(so,sv)], (0, 1), x47, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) - del x48 - x49 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x49 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x49, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x50 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x50 += einsum(t1[np.ix_(so,sv)], (0, 1), x49, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x50, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x50, (0, 1, 2, 3), (0, 1, 3, 2)) - del x50 - x51 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x51 += einsum(x5, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) - del x5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x51, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x51, (0, 1, 2, 3), (1, 0, 3, 2)) - del x51 - x52 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x52 += einsum(x6, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) - del x6 - t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x52 - x53 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x53 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -1.0 - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -1.0 - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -1.0 - t3new += einsum(x53, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -1.0 - x54 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x54 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 3), (4, 0, 2, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x54, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x54 - x55 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x55 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x53, (4, 1, 5, 2), (4, 0, 3, 5)) - del x53 - t2new[np.ix_(so,so,sv,sv)] += einsum(x55, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x55, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x55 - x56 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x56 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 1, 3, 5), (4, 0, 2, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x56, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x56, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - del x56 - x57 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x57 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x21, (4, 1, 2, 5), (4, 0, 3, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x57, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x57, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x57 - x58 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x58 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) - x59 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x59 += einsum(t1[np.ix_(so,sv)], (0, 1), x58, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x59, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x59, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x59 - x60 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x60 += einsum(x8, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) - del x8 - t2new[np.ix_(so,so,sv,sv)] += einsum(x60, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x60, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x60 - x61 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x61 += einsum(x7, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 0), (2, 3, 4, 1)) - del x7 - t2new[np.ix_(so,so,sv,sv)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x61, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x61 - x62 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x62 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -1.0 - x63 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x63 += einsum(x62, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x63, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 - del x63 - x64 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x64 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - x65 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x65 += einsum(x64, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) - del x64 - t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x65, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 - del x65 - x66 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x66 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x66, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -1.0 - del x66 - x67 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x67 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (4, 5, 0, 6)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 0.5 - x68 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x68 += einsum(t1[np.ix_(so,sv)], (0, 1), x67, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 - del x68 - x69 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x69 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 1), (4, 5, 0, 6)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -0.5 - x70 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x70 += einsum(t1[np.ix_(so,sv)], (0, 1), x69, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 - del x70 - x71 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x71 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) - x72 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x72 += einsum(t1[np.ix_(so,sv)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x72, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x72, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x72 - x73 = np.zeros((naocc, navir), dtype=types[float]) - x73 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOV, (0, 1, 2, 3), (2, 3)) - x74 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x74 += einsum(x73, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) - del x73 - t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x74 - x75 = np.zeros((naocc, navir), dtype=types[float]) - x75 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvO, (0, 2, 1, 3), (3, 2)) - x76 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x76 += einsum(x75, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) - del x75 - t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x76 - x77 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x77 += einsum(x14, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) - del x14 - t2new[np.ix_(so,so,sv,sv)] += einsum(x77, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x77, (0, 1, 2, 3), (1, 0, 3, 2)) - del x77 - x78 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x78 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x26, (4, 1, 5, 3), (0, 4, 2, 5)) - del x26 - t2new[np.ix_(so,so,sv,sv)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x78, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x78 - x79 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x79 += einsum(x12, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x79 - x80 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x80 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x80, (4, 1, 5, 3), (4, 0, 5, 2)) * -2.0 - del x80 - x81 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x81 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 5), (0, 4, 3, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x81, (4, 1, 5, 2), (4, 0, 3, 5)) - x82 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x82 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x81, (4, 1, 5, 3), (0, 4, 2, 5)) - del x81 - t2new[np.ix_(so,so,sv,sv)] += einsum(x82, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x82, (0, 1, 2, 3), (1, 0, 3, 2)) - del x82 - x83 = np.zeros((nvir, nvir), dtype=types[float]) - x83 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (0, 2, 1, 4), (3, 4)) - x84 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x84 += einsum(x83, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (0, 1, 2, 3)) * -0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -0.5 - del x84 - x85 = np.zeros((nvir, nvir), dtype=types[float]) - x85 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (0, 4, 1, 2), (3, 4)) - x86 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x86 += einsum(x85, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (0, 1, 2, 3)) * 0.5 - t2new[np.ix_(so,so,sv,sv)] += einsum(x86, (0, 1, 2, 3), (1, 0, 3, 2)) * 0.5 - del x86 - x87 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) - x87 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x87, (4, 5, 0, 1), (5, 4, 3, 2)) - t3new += einsum(x87, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 7), (0, 1, 4, 5, 6, 7)) - x88 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x88 += einsum(t1[np.ix_(so,sv)], (0, 1), x41, (2, 3, 4, 0), (2, 4, 3, 1)) - x89 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x89 += einsum(t1[np.ix_(so,sv)], (0, 1), x88, (2, 0, 3, 4), (2, 3, 1, 4)) - del x88 - t2new[np.ix_(so,so,sv,sv)] += einsum(x89, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x89, (0, 1, 2, 3), (1, 0, 2, 3)) - del x89 - x90 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x90 += einsum(t1[np.ix_(so,sv)], (0, 1), x21, (2, 3, 1, 4), (0, 2, 3, 4)) - del x21 - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) - x91 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x91 += einsum(t1[np.ix_(so,sv)], (0, 1), x90, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x91, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x91 - x92 = np.zeros((nocc, nocc, nocc, nocc), dtype=types[float]) - x92 += einsum(t1[np.ix_(so,sv)], (0, 1), x9, (2, 3, 4, 1), (2, 0, 4, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 1), (5, 4, 3, 2)) - t3new += einsum(x92, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 2, 4, 5, 6, 7), (1, 0, 4, 5, 6, 7)) - x93 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x93 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * 2.0 - x94 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x94 += einsum(t1[np.ix_(so,sv)], (0, 1), x93, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x94, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x94, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x94 - x95 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x95 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 1, 5, 2), (4, 0, 5, 3)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x95, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 - x96 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x96 += einsum(t1[np.ix_(so,sv)], (0, 1), x95, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x96, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x96, (0, 1, 2, 3), (1, 0, 3, 2)) - del x96 - x97 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x97 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 1, 3), (4, 0, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (4, 5, 1, 3, 6, 2)) * -1.0 - x98 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x98 += einsum(t1[np.ix_(so,sv)], (0, 1), x97, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x98, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x98, (0, 1, 2, 3), (1, 0, 3, 2)) - del x98 - x99 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x99 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 1, 2), (4, 0, 5, 3)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x99, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x100 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x100 += einsum(t1[np.ix_(so,sv)], (0, 1), x99, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x100, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x100, (0, 1, 2, 3), (1, 0, 2, 3)) - del x100 - x101 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x101 += einsum(x16, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) - del x16 - t2new[np.ix_(so,so,sv,sv)] += einsum(x101, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x101, (0, 1, 2, 3), (1, 0, 2, 3)) - del x101 - x102 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x102 += einsum(x17, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 1, 3, 4), (0, 2, 3, 4)) - del x17 - t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x102, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - del x102 - x103 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x103 += einsum(t1[np.ix_(so,sv)], (0, 1), x87, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x103, (2, 3, 0, 4), (2, 3, 1, 4)) - del x103 - x104 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x104 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x104, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * 2.0 - x105 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x105 += einsum(t1[np.ix_(so,sv)], (0, 1), x104, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x105, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new[np.ix_(so,so,sv,sv)] += einsum(x105, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x105 - x106 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x106 += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sv)], (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x106, (4, 5, 0, 6), (5, 4, 1, 3, 6, 2)) * -1.0 - x107 = np.zeros((nocc, nocc, nvir, nvir), dtype=types[float]) - x107 += einsum(t1[np.ix_(so,sv)], (0, 1), x106, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x107, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new[np.ix_(so,so,sv,sv)] += einsum(x107, (0, 1, 2, 3), (0, 1, 3, 2)) - del x107 - x108 = np.zeros((nocc, nocc, nocc, nvir), dtype=types[float]) - x108 += einsum(t1[np.ix_(so,sv)], (0, 1), x92, (2, 3, 0, 4), (3, 2, 4, 1)) - t2new[np.ix_(so,so,sv,sv)] += einsum(t1[np.ix_(so,sv)], (0, 1), x108, (2, 3, 0, 4), (2, 3, 1, 4)) - del x108 - x109 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x109 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) - t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x109 - x110 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x110 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) - t3new += einsum(x110, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x110, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x110 - x111 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x111 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) - t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x111, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x111 - x112 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x112 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) - t3new += einsum(x112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x112, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x112 - x113 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x113 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x113, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - x114 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x114 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) - t3new += einsum(x114, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x114 - x115 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x115 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) - t3new += einsum(x115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x115, (4, 5, 6, 1, 2, 7), (6, 0, 4, 7, 3, 5)) - x116 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x116 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) - t3new += einsum(x116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x116, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) * -1.0 - del x116 - x117 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x117 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) - t3new += einsum(x117, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x117, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) * -2.0 - del x117 - x118 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x118 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) - t3new += einsum(x118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x118, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) - del x118 - x119 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x119 += einsum(v.OVOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 2, 6, 7, 3), (0, 1, 4, 5, 6, 7)) - t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x119 - x120 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x120 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x120, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x120 - x121 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x121 += einsum(f.ov, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x121, (2, 3, 0, 4, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x121 - x122 = np.zeros((navir, navir), dtype=types[float]) - x122 += einsum(f.oV, (0, 1), t1[np.ix_(so,sV)], (0, 2), (1, 2)) - t3new += einsum(x122, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 - del x122 - x123 = np.zeros((naocc, naocc), dtype=types[float]) - x123 += einsum(f.vO, (0, 1), t1[np.ix_(sO,sv)], (2, 0), (1, 2)) - t3new += einsum(x123, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -1.0 - del x123 - x124 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x124 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 0, 2)) - x125 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x125 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x124, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) - del x124 - t3new += einsum(x125, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x125, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x125 - x126 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x126 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x34, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) - del x34 - t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x126, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x126 - x127 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x127 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 0, 2, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x127, (4, 0, 5, 6), (1, 5, 4, 2, 6, 3)) - x128 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x128 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x127, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) - del x127 - t3new += einsum(x128, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x128, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x128 - x129 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x129 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 0, 2, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x129, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x129, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) - del x129 - x130 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x130 += einsum(f.ov, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 0, 3, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x130, (4, 0, 5, 6), (5, 6, 1, 3, 2, 4)) - del x130 - x131 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x131 += einsum(f.ov, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 0, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x131, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) - del x131 - x132 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x132 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x132, (4, 0, 5, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x133 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x133 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x132, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) - del x132 - t3new += einsum(x133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x133 - x134 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x134 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x134, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x134, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x134 - x135 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x135 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x135, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x135, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x135 - x136 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x136 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x62, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - t3new += einsum(x136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x136 - x137 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x137 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvO, (4, 2, 5, 6), (6, 3, 1, 0, 4, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x137, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x137 - x138 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x138 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - x139 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x139 += einsum(t1[np.ix_(so,sv)], (0, 1), x138, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x139, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x139 - x140 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x140 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x140, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - del x140 - x141 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x141 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x141, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x142 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x142 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x141, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) - del x141 - t3new += einsum(x142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x142, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x142 - x143 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x143 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x143, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x143 - x144 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x144 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oOvv, (4, 5, 6, 2), (5, 3, 1, 0, 4, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x144, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x144 - x145 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x145 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x145, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) - del x145 - x146 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x146 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x36, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x36 - t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x146 - x147 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x147 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x148 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x148 += einsum(t1[np.ix_(so,sv)], (0, 1), x147, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) - del x147 - t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x148, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x148 - x149 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x149 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) - x150 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x150 += einsum(t1[np.ix_(so,sv)], (0, 1), x149, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x149 - t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x150 - x151 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x151 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x152 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x152 += einsum(t1[np.ix_(so,sv)], (0, 1), x151, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x151 - t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x152 - x153 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x153 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oovV, (4, 5, 2, 6), (1, 6, 0, 4, 5, 3)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x153, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) - del x153 - x154 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x154 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x9, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x154 - x155 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x155 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x155, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) - x156 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x156 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x156, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x156 - x157 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x157 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x158 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x158 += einsum(t1[np.ix_(so,sv)], (0, 1), x157, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x158 - x159 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x159 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 2, 5, 6), (1, 6, 0, 5, 4, 3)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x159, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) - del x159 - x160 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x160 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) - x161 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x161 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x160, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x160 - t3new += einsum(x161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x161 - x162 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x162 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x162, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -1.0 - del x162 - x163 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x163 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x163, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - del x163 - x164 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x164 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) - x165 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x165 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x164, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x164 - t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x165, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x165 - x166 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x166 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x166, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x166 - x167 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x167 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x167, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x167, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x167 - x168 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x168 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) - x169 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x169 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x169, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x169 - x170 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x170 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x170, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) * -1.0 - x171 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x171 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x170, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) - del x170 - t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x171, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x171 - x172 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x172 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x172, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - del x172 - x173 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=types[float]) - x173 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x174 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x174 += einsum(t1[np.ix_(so,sv)], (0, 1), x173, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) - del x173 - t3new += einsum(x174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x174 - x175 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x175 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) - x176 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x176 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x175, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x175 - t3new += einsum(x176, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x176, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x176 - x177 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x177 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x177, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x177, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x177 - x178 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x178 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x178, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - del x178 - x179 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x179 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x180 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x180 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x180, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x180 - x181 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x181 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x181, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 - del x181 - x182 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x182 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x183 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x183 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x182, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x182 - t3new += einsum(x183, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x183 - x184 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x184 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x184, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 - del x184 - x185 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x185 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oooo, (4, 5, 6, 0), (1, 2, 4, 5, 6, 3)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x185, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x185 - x186 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x186 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oovv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x186, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) - del x186 - x187 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x187 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 6, 3), (1, 2, 0, 4, 6, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x187, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - x188 = np.zeros((naocc, navir, nocc, nvir, nvir, nvir), dtype=types[float]) - x188 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.vvvv, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x188, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * -1.0 - del x188 - x189 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x189 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x189, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x189 - x190 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x190 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x190, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x190 - x191 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x191 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x191, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x191 - x192 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x192 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x192, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) - del x192 - x193 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x193 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x193, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) - del x193 - x194 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x194 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x194, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x194 - x195 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x195 += einsum(v.ooov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x195, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x195 - x196 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x196 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 - t3new += einsum(x196, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) - del x196 - x197 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x197 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new += einsum(x197, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 - del x197 - x198 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x198 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 - t3new += einsum(x198, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -1.0 - del x198 - x199 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x199 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new += einsum(x199, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) - del x199 - x200 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x200 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 5, 0, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x200, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x200 - x201 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x201 += einsum(v.oOvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 5, 0, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x201, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x201 - x202 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x202 += einsum(v.ovOO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x202, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x202 - x203 = np.zeros((naocc, naocc), dtype=types[float]) - x203 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovOO, (0, 1, 2, 3), (2, 3)) - t3new += einsum(x203, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x203 - x204 = np.zeros((naocc, naocc), dtype=types[float]) - x204 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOvO, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x204, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) - del x204 - x205 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x205 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x205, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x205 - x206 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x206 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 5, 0, 7)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x206, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 - del x206 - x207 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x207 += einsum(v.oVvV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 2, 7, 1), (6, 3, 4, 5, 0, 7)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x207, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 - del x207 - x208 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x208 += einsum(v.ovvv, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x208, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x208 - x209 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x209 += einsum(v.ovVV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x209, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x209 - x210 = np.zeros((navir, navir), dtype=types[float]) - x210 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovVV, (0, 1, 2, 3), (2, 3)) - t3new += einsum(x210, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - del x210 - x211 = np.zeros((navir, navir), dtype=types[float]) - x211 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvV, (0, 2, 1, 3), (2, 3)) - t3new += einsum(x211, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -1.0 - del x211 - x212 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x212 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) - t3new += einsum(x212, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -1.0 - del x212 - x213 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x213 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) - t3new += einsum(x213, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) - del x213 - x214 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x214 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) - t3new += einsum(x214, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x214 - x215 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x215 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) - x216 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x216 += einsum(x215, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 3), (1, 2, 4, 5, 6, 7)) - del x215 - t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x216, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x216 - x217 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x217 += einsum(t1[np.ix_(so,sV)], (0, 1), v.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) - t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.5 - t3new += einsum(x217, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -1.0 - del x217 - x218 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x218 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) - t3new += einsum(x218, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.5 - del x218 - x219 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x219 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 - t3new += einsum(x219, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) - del x219 - x220 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x220 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new += einsum(x220, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 - del x220 - x221 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x221 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 - t3new += einsum(x221, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -1.0 - del x221 - x222 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x222 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new += einsum(x222, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) - del x222 - x223 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x223 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new += einsum(x223, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -1.0 - del x223 - x224 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x224 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) - x225 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x225 += einsum(x224, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 2), (0, 3, 4, 5, 6, 7)) - del x224 - t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x225, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x225 - x226 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x226 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oooV, (2, 0, 3, 4), (4, 3, 2, 1)) - t3new += einsum(x226, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 1, 5, 6, 7, 0), (4, 2, 5, 6, 3, 7)) - del x226 - x227 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x227 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oVvv, (2, 3, 4, 1), (3, 0, 2, 4)) - t3new += einsum(x227, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -1.0 - del x227 - x228 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) - x228 += einsum(t1[np.ix_(so,sv)], (0, 1), v.oOOV, (0, 2, 3, 4), (3, 2, 4, 1)) - t3new += einsum(x228, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) - del x228 - x229 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) - x229 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) - t3new += einsum(x229, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -1.0 - del x229 - x230 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) - x230 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vVOV, (1, 2, 3, 4), (3, 4, 2, 0)) - t3new += einsum(x230, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -1.0 - del x230 - x231 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) - x231 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) - t3new += einsum(x231, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) - del x231 - x232 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x232 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) - t3new += einsum(x232, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 - del x232 - x233 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x233 += einsum(t1[np.ix_(so,sv)], (0, 1), v.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new += einsum(x233, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) - del x233 - x234 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x234 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x234, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 - x235 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x235 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x234, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - del x234 - t3new += einsum(x235, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x235, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x235 - x236 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x236 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) - x237 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x237 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x236, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x236 - t3new += einsum(x237, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x237, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x237 - x238 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x238 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 2, 4, 5), (5, 0, 4, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x239 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x239 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x238, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - del x238 - t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x239, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x239 - x240 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x240 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x241 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x241 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x240, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - del x240 - t3new += einsum(x241, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x241, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x241 - x242 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x242 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (4, 2, 1, 5), (5, 0, 4, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x242, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x242, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x242 - x243 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x243 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) - x244 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x244 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x243, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x243 - t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x244, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 - del x244 - x245 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x245 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) - x246 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x246 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x245, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x245 - t3new += einsum(x246, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x246, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - del x246 - x247 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x247 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x247, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x247 - x248 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x248 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 0, 5), (5, 3, 1, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x248, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x248 - x249 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x249 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (0, 2, 4, 5), (5, 3, 1, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x249, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - del x249 - x250 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x250 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x250, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 - del x250 - x251 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x251 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x49, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x49 - t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x251, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x251 - x252 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x252 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) - x253 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x253 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x252, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x252 - t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new += einsum(x253, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x253 - x254 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x254 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x43, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x43 - t3new += einsum(x254, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x254, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x254 - x255 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x255 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x45, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x45 - t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x255, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x255 - x256 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x256 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - x257 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x257 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x256, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x256 - t3new += einsum(x257, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x257, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x257 - x258 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x258 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x47, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x47 - t3new += einsum(x258, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x258, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x258 - x259 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x259 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x260 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x260 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x259, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) - t3new += einsum(x260, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x260, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x260 - x261 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x261 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x261, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x262 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x262 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x261, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) - del x261 - t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x262, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x262 - x263 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x263 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x263, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 - del x263 - x264 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x264 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (1, 4, 5, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x264, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x264, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x264 - x265 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x265 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x265, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x265, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x265 - x266 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x266 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (1, 4, 5, 3)) - x267 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x267 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x266, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) - t3new += einsum(x267, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x267, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x267 - x268 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x268 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x268, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 - del x268 - x269 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x269 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x269, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x270 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x270 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x269, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x269 - t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x270, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x270 - x271 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x271 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x271, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - x272 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x272 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x271, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x271 - t3new += einsum(x272, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x272, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x272 - x273 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x273 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x266, (4, 5, 0, 6), (4, 3, 1, 5, 6, 2)) - del x266 - t3new += einsum(x273, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x273, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x273 - x274 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x274 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 2), (3, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x274, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 - del x274 - x275 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x275 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 2), (3, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x275, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * 2.0 - del x275 - x276 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x276 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x276, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -2.0 - x277 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x277 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x276, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x276 - t3new += einsum(x277, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new += einsum(x277, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x277 - x278 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x278 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 2, 4, 5), (5, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) - x279 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x279 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x278, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x278 - t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x279, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x279 - x280 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x280 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) - x281 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x281 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x280, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x280 - t3new += einsum(x281, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x281, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x281 - x282 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x282 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) - x283 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x283 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x282, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x282 - t3new += einsum(x283, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x283, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x283 - x284 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x284 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (1, 4, 2, 5), (5, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x284, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x284, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x284 - x285 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x285 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) - x286 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x286 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x285, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x285 - t3new += einsum(x286, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x286, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x286 - x287 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x287 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x287, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - del x287 - x288 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x288 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x288, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - del x288 - x289 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x289 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x289, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) - del x289 - x290 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x290 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (0, 2, 4, 5), (1, 5, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x290, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - del x290 - x291 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x291 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x291, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - del x291 - x292 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x292 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x113, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) - t3new += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x292 - x293 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x293 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x113, (4, 5, 6, 1, 2, 7), (4, 5, 6, 0, 3, 7)) - t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x293 - x294 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x294 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - x295 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x295 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) - t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x295 - x296 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x296 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x294, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 3, 7)) - t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x296 - x297 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x297 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - x298 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x298 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x297, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x297 - t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x298 - x299 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x299 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x58 - t3new += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x299 - x300 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x300 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - x301 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x301 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x300, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x300 - t3new += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x301 - x302 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x302 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 2), (1, 0, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x302, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x303 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x303 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x302, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) - del x302 - t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x303 - x304 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x304 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x304, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x304 - x305 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x305 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x305, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) - x306 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x306 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x305, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) - del x305 - t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x306 - x307 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x307 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x307, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x307 - x308 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x308 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x308, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) - del x308 - x309 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x309 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x309, (4, 5, 2, 6), (1, 0, 4, 5, 6, 3)) - del x309 - x310 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x310 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x310, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) - del x310 - x311 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x311 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - x312 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x312 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x311, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) - del x311 - t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x312 - x313 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x313 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x313, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 - del x313 - x314 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x314 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 2), (3, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x314, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x314, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) - del x314 - x315 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x315 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 0, 3), (1, 2, 4, 5)) - x316 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x316 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x315, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x315 - t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x316, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x316 - x317 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x317 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 0, 5, 3), (1, 2, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x317, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x317 - x318 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x318 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ooov, (4, 5, 6, 3), (1, 2, 0, 4, 5, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x318, (4, 5, 6, 7, 0, 1), (6, 7, 4, 3, 2, 5)) * -1.0 - x319 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x319 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x319, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) - del x319 - x320 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x320 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) - x321 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x321 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x320, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x320 - t3new += einsum(x321, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x321, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x321 - x322 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x322 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovvv, (4, 3, 5, 6), (1, 2, 0, 4, 5, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x322, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) - x323 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x323 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x323, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - del x323 - x324 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x324 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x324, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 - del x324 - x325 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x325 += einsum(x12, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x12 - t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x325, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x325 - x326 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x326 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) - x327 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x327 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x326, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x326 - t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x327, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x327 - x328 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x328 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x328, (4, 5, 6, 1, 7, 2), (0, 6, 4, 3, 7, 5)) - del x328 - x329 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x329 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x329, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) - del x329 - x330 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x330 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x330, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x330 - x331 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x331 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 3, 6), (5, 6, 4, 0)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x331, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - del x331 - x332 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x332 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -2.0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x332, (4, 5, 6, 1, 7, 2), (6, 0, 4, 7, 3, 5)) - del x332 - x333 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x333 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x333, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) - del x333 - x334 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x334 += einsum(v.ovov, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x334, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) - x335 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x335 += einsum(x85, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x335, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - del x335 - x336 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x336 += einsum(x85, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - del x85 - t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - del x336 - x337 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x337 += einsum(x83, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x337, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.5 - del x337 - x338 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x338 += einsum(x83, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - del x83 - t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.5 - t3new += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x338 - x339 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x339 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 0.5 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x339, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -0.5 - del x339 - x340 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x340 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 5, 1, 6, 3), (5, 4, 2, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -0.5 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x340, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 0.5 - del x340 - x341 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x341 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) - t3new += einsum(x341, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 - del x341 - x342 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x342 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) - t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) - t3new += einsum(x342, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) - del x342 - x343 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x343 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x343, (4, 5, 6, 2), (1, 0, 4, 5, 6, 3)) * -1.0 - del x343 - x344 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x344 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x344, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - del x344 - x345 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x345 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x345, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - del x345 - x346 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x346 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 1, 6, 3), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x346, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -0.5 - del x346 - x347 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x347 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 5, 1, 6, 3), (5, 4, 2, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x347, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 0.5 - del x347 - x348 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x348 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) - t3new += einsum(x348, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - del x348 - x349 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x349 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x349, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x349 - x350 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x350 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (4, 2, 0, 5), (3, 5, 1, 4)) - t3new += einsum(x350, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 - del x350 - x351 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x351 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) - t3new += einsum(x351, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 - del x351 - x352 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x352 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) - t3new += einsum(x352, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 - del x352 - x353 = np.zeros((navir, navir), dtype=types[float]) - x353 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) - t3new += einsum(x353, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -0.5 - del x353 - x354 = np.zeros((navir, navir), dtype=types[float]) - x354 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) - t3new += einsum(x354, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 - del x354 - x355 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x355 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) - t3new += einsum(x355, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * -0.25 - del x355 - x356 = np.zeros((navir, navir, nvir, nvir), dtype=types[float]) - x356 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) - t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 0.25 - t3new += einsum(x356, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) - del x356 - x357 = np.zeros((navir, navir), dtype=types[float]) - x357 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (1, 2, 0, 4), (3, 4)) - t3new += einsum(x357, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 0.5 - del x357 - x358 = np.zeros((navir, navir), dtype=types[float]) - x358 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoV, (0, 2, 1, 4), (3, 4)) - t3new += einsum(x358, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -1.5 - del x358 - x359 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x359 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 0.5 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x359, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -0.5 - del x359 - x360 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x360 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) - t3new += einsum(x360, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 - del x360 - x361 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x361 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -0.5 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x361, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 0.5 - del x361 - x362 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x362 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) - t3new += einsum(x362, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 - del x362 - x363 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x363 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x363, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 - del x363 - x364 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x364 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x364, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 - del x364 - x365 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x365 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x365, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - del x365 - x366 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x366 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) - t3new += einsum(x366, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) - del x366 - x367 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x367 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -0.5 - del x367 - x368 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x368 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 1, 5, 6), (6, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x368, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 0.5 - del x368 - x369 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x369 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - del x369 - x370 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x370 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) - t3new += einsum(x370, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 - del x370 - x371 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x371 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) - t3new += einsum(x371, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 - del x371 - x372 = np.zeros((naocc, naocc), dtype=types[float]) - x372 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 2, 3, 4), (1, 4)) - x373 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x373 += einsum(x372, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) - del x372 - t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x373, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x373 - x374 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x374 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) - t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) - t3new += einsum(x374, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) - del x374 - x375 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x375 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x375, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 - del x375 - x376 = np.zeros((naocc, naocc, nvir, nvir), dtype=types[float]) - x376 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new += einsum(x376, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -1.0 - del x376 - x377 = np.zeros((naocc, naocc), dtype=types[float]) - x377 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovvO, (0, 3, 2, 4), (1, 4)) - t3new += einsum(x377, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) - del x377 - x378 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) - x378 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -1.0 - x379 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x379 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x378, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) - del x378 - t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x379, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x379 - x380 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) - x380 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) - x381 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x381 += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x380, (6, 2, 7, 5, 8, 0), (6, 7, 8, 1, 3, 4)) - del x380 - t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x381, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x381 - x382 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) - x382 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x382, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -1.0 - del x382 - x383 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x383 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x67, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x67 - t3new += einsum(x383, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x383, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x383 - x384 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x384 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x69 - t3new += einsum(x384, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x384, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x384 - x385 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x385 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x71 - t3new += einsum(x385, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x385, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x385 - x386 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x386 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - x387 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x387 += einsum(x386, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) - del x386 - t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new += einsum(x387, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x387 - x388 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x388 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) - x389 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x389 += einsum(x388, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) - del x388 - t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x389, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x389 - x390 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x390 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new += einsum(x390, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) * -2.0 - del x390 - x391 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x391 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (2, 4, 5, 1, 6, 3), (5, 6, 4, 0)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x391, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -0.5 - del x391 - x392 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x392 += einsum(v.ovoV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 4, 5, 1, 6, 3), (5, 6, 4, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x392, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 0.5 - del x392 - x393 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x393 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (1, 2, 4, 5), (5, 0, 4, 3)) - t3new += einsum(x393, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) - del x393 - x394 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x394 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovoV, (4, 3, 1, 5), (5, 0, 4, 2)) - t3new += einsum(x394, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) - del x394 - x395 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) - x395 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) - x396 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x396 += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x395, (6, 2, 5, 7, 1, 8), (6, 4, 7, 0, 8, 3)) - del x395 - t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x396, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x396 - x397 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) - x397 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (1, 5, 6, 0, 4, 3)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x397, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * 0.5 - del x397 - x398 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) - x398 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 5, 0, 4, 2)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x398, (6, 2, 5, 7, 1, 8), (0, 7, 6, 3, 8, 4)) * 0.5 - del x398 - x399 = np.zeros((naocc, naocc, navir, nocc, nocc, nvir), dtype=types[float]) - x399 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (1, 6, 5, 0, 4, 3)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x399, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -0.5 - del x399 - x400 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) - x400 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) - t3new += einsum(x400, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) - del x400 - x401 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x401 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 2, 1, 6, 3), (6, 4, 5, 0)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x401, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 0.5 - del x401 - x402 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x402 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 3, 2, 6, 1), (6, 4, 5, 0)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x402, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -0.5 - del x402 - x403 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) - x403 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (1, 4, 5, 3)) - t3new += einsum(x403, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 - del x403 - x404 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) - x404 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (1, 5, 4, 3)) - t3new += einsum(x404, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) - del x404 - x405 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x405 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 5, 2, 6), (4, 6, 5, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x405, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 - del x405 - x406 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x406 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 2, 5, 6), (4, 6, 5, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x406, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 - del x406 - x407 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x407 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 5, 1, 6), (4, 6, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x407, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -0.5 - del x407 - x408 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x408 += einsum(v.ovvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 4, 3, 1, 5, 6), (4, 6, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x408, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 0.5 - del x408 - x409 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x409 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x409, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - del x409 - x410 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) - x410 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) - t3new += einsum(x410, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) - del x410 - x411 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=types[float]) - x411 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (4, 2, 5, 6), (5, 3, 6, 1, 0, 4)) - t3new += einsum(t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x411, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * 0.5 - del x411 - x412 = np.zeros((naocc, navir, navir, nocc, nocc, nocc), dtype=types[float]) - x412 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (4, 5, 2, 6), (6, 3, 5, 1, 0, 4)) - t3new += einsum(t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x412, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -0.5 - del x412 - x413 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x413 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x413, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 0.5 - del x413 - x414 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x414 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 3, 2, 6, 1), (5, 4, 0, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x414, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -0.5 - del x414 - x415 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) - x415 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovOV, (0, 2, 4, 5), (4, 3, 5, 1)) - t3new += einsum(x415, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 - del x415 - x416 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) - x416 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.oVvO, (0, 4, 2, 5), (5, 3, 4, 1)) - t3new += einsum(x416, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) - del x416 - x417 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x417 += einsum(t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x138, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) - del x138 - t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x417, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -0.5 - del x417 - x418 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x418 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) - x419 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x419 += einsum(t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (0, 1, 2, 3, 4, 5), x418, (2, 5, 6, 7, 0, 8), (1, 4, 6, 7, 8, 3)) - del x418 - t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 0.5 - del x419 - x420 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x420 += einsum(v.ovOV, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x420, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -0.5 - del x420 - x421 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x421 += einsum(v.oVvO, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 3, 2, 6, 1), (5, 6, 4, 0)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x421, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * 0.5 - del x421 - x422 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x422 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) - t3new += einsum(x422, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - del x422 - x423 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x423 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.ovOV, (1, 2, 4, 5), (4, 5, 0, 3)) - t3new += einsum(x423, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 - del x423 - x424 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x424 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), v.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) - t3new += einsum(x424, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 - del x424 - x425 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) - x425 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (4, 3, 5, 6), (1, 5, 2, 6, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x425, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 0.5 - del x425 - x426 = np.zeros((naocc, naocc, navir, navir, nocc, nocc), dtype=types[float]) - x426 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (4, 5, 3, 6), (1, 6, 2, 5, 0, 4)) - t3new += einsum(t3[np.ix_(so,so,sOf,sv,sv,sVf)], (0, 1, 2, 3, 4, 5), x426, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -0.5 - del x426 - x427 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x427 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovOV, (0, 3, 4, 5), (1, 4, 2, 5)) - x428 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x428 += einsum(x427, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) - del x427 - t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x428, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x428 - x429 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x429 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.oVvO, (0, 4, 3, 5), (1, 5, 2, 4)) - t3new += einsum(x429, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x429 - x430 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x430 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) - x431 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x431 += einsum(t1[np.ix_(so,sv)], (0, 1), x430, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x431, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x432 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x432 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x431, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x431 - t3new += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x432, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x432 - x433 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x433 += einsum(t1[np.ix_(so,sv)], (0, 1), x430, (2, 3, 0, 4), (2, 3, 4, 1)) - del x430 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x433, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x433, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x433 - x434 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x434 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovoO, (4, 2, 5, 6), (6, 3, 1, 0, 5, 4)) - x435 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x435 += einsum(t1[np.ix_(so,sv)], (0, 1), x434, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x434 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x435, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x435 - x436 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x436 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) - x437 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x437 += einsum(t1[np.ix_(so,sv)], (0, 1), x436, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x436 - t3new += einsum(x437, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x437, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x437 - x438 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x438 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x41, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) - x439 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x439 += einsum(t1[np.ix_(so,sv)], (0, 1), x438, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x438 - t3new += einsum(x439, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x439, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x439 - x440 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x440 += einsum(t1[np.ix_(so,sv)], (0, 1), x259, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x259 - x441 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x441 += einsum(t1[np.ix_(so,sv)], (0, 1), x440, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x440 - t3new += einsum(x441, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x441, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x441 - x442 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x442 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x443 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x443 += einsum(t1[np.ix_(so,sv)], (0, 1), x442, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x443, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) - del x443 - x444 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x444 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x90, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x90 - t3new += einsum(x444, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x444, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x444 - x445 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x445 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x442, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - x446 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x446 += einsum(t1[np.ix_(so,sv)], (0, 1), x445, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x445 - t3new += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x446 - x447 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x447 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) - x448 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x448 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x447, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x448, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x448 - x449 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x449 += einsum(t1[np.ix_(so,sv)], (0, 1), x113, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) - del x113 - x450 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x450 += einsum(t1[np.ix_(so,sv)], (0, 1), x449, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x449 - t3new += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x450, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x450 - x451 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x451 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x447, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) - del x447 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x451, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x451 - x452 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x452 += einsum(t1[np.ix_(so,sv)], (0, 1), x294, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x294 - x453 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x453 += einsum(t1[np.ix_(so,sv)], (0, 1), x452, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x452 - t3new += einsum(x453, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x453, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x453 - x454 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x454 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x442, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) - del x442 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x454, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) - del x454 - x455 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x455 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) - x456 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x456 += einsum(t1[np.ix_(so,sv)], (0, 1), x455, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x456, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x456 - x457 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x457 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - x458 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x458 += einsum(t1[np.ix_(so,sv)], (0, 1), x457, (2, 3, 4, 1), (2, 3, 0, 4)) - x459 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x459 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x458, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x458 - t3new += einsum(x459, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x459, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x459 - x460 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x460 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x457, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x457 - x461 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x461 += einsum(t1[np.ix_(so,sv)], (0, 1), x460, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x460 - t3new += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x461 - x462 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x462 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x455, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x455 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x462, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x462 - x463 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x463 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x464 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x464 += einsum(t1[np.ix_(so,sv)], (0, 1), x463, (2, 3, 4, 1), (2, 0, 4, 3)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x464, (4, 5, 0, 6), (5, 6, 1, 3, 2, 4)) * -1.0 - del x464 - x465 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x465 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x466 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x466 += einsum(t1[np.ix_(so,sv)], (0, 1), x465, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x466, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 - del x466 - x467 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x467 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x463, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) - x468 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x468 += einsum(t1[np.ix_(so,sv)], (0, 1), x467, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x467 - t3new += einsum(x468, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x468, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x468 - x469 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x469 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x465, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x469, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x469 - x470 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x470 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x463, (4, 5, 6, 2), (1, 4, 0, 6, 5, 3)) - del x463 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x470, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x470 - x471 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x471 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x465, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) - del x465 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x471, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x471 - x472 = np.zeros((navir, nvir, nvir, nvir), dtype=types[float]) - x472 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x473 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x473 += einsum(t1[np.ix_(so,sv)], (0, 1), x472, (2, 1, 3, 4), (2, 0, 4, 3)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x473, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x473, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) - del x473 - x474 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x474 += einsum(t1[np.ix_(so,sv)], (0, 1), x472, (2, 3, 4, 1), (2, 0, 3, 4)) - del x472 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x474, (4, 5, 2, 6), (0, 5, 1, 3, 6, 4)) - x475 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x475 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x474, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) - del x474 - t3new += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x475, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x475 - x476 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x476 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x477 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x477 += einsum(t1[np.ix_(so,sv)], (0, 1), x476, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x477, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x478 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x478 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x477, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) - del x477 - t3new += einsum(x478, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x478, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x478 - x479 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x479 += einsum(t1[np.ix_(so,sv)], (0, 1), x476, (2, 3, 4, 0), (2, 4, 3, 1)) - del x476 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x479, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x479, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x479 - x480 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x480 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x481 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x481 += einsum(t1[np.ix_(so,sv)], (0, 1), x480, (2, 3, 4, 1), (2, 3, 0, 4)) - x482 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x482 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x481, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x481 - t3new += einsum(x482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x482, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x482 - x483 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x483 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) - x484 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x484 += einsum(t1[np.ix_(so,sv)], (0, 1), x483, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x484, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - del x484 - x485 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x485 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x486 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x486 += einsum(t1[np.ix_(so,sv)], (0, 1), x485, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x486, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x486, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x486 - x487 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x487 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x488 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x488 += einsum(t1[np.ix_(so,sv)], (0, 1), x487, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x488, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) - x489 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x489 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x488, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) - del x488 - t3new += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - t3new += einsum(x489, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - del x489 - x490 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x490 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x483, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x483 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x490, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x490 - x491 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x491 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x480, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x480 - x492 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x492 += einsum(t1[np.ix_(so,sv)], (0, 1), x491, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x491 - t3new += einsum(x492, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x492, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -1.0 - del x492 - x493 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x493 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x487, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) - del x487 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x493, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x493 - x494 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x494 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x485, (4, 5, 2, 6), (4, 3, 1, 0, 5, 6)) - del x485 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x494, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x494 - x495 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x495 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) - x496 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x496 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x495, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) - del x495 - t3new += einsum(x496, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x496, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x496 - x497 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x497 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x497, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x497 - x498 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x498 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) - x499 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x499 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x498, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x498 - t3new += einsum(x499, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x499, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x499 - x500 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x500 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x500, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) - del x500 - x501 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x501 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x41, (4, 5, 6, 0), (1, 2, 4, 6, 5, 3)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x501, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x501 - x502 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x502 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x41, (4, 5, 0, 6), (1, 2, 4, 5, 6, 3)) - del x41 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x502, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x502 - x503 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x503 += einsum(t1[np.ix_(so,sv)], (0, 1), x318, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x318 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x503, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x503 - x504 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x504 += einsum(t1[np.ix_(so,sv)], (0, 1), x322, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x322 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x504, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x504 - x505 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x505 += einsum(t1[np.ix_(so,sv)], (0, 1), x115, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) - del x115 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x505, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) - del x505 - x506 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x506 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x506, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x506 - x507 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x507 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x507, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x507 - x508 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x508 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 4, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x508 - x509 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x509 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x509, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x509 - x510 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x510 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x510, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) - del x510 - x511 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x511 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x511, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x511 - x512 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x512 += einsum(x9, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x512, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) - del x512 - x513 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x513 += einsum(t1[np.ix_(so,sv)], (0, 1), x334, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x334 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x513 - x514 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x514 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x514, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x514 - x515 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x515 += einsum(x15, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x515, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x515 - x516 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x516 += einsum(x0, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x516, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x516 - x517 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x517 += einsum(x15, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x517, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x517 - x518 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) - x518 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x519 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x519 += einsum(t1[np.ix_(so,sv)], (0, 1), x518, (2, 3, 4, 1), (2, 3, 0, 4)) - del x518 - t3new += einsum(x519, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -1.0 - del x519 - x520 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) - x520 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x521 = np.zeros((navir, navir, nocc, nocc), dtype=types[float]) - x521 += einsum(t1[np.ix_(so,sv)], (0, 1), x520, (2, 3, 4, 1), (2, 3, 0, 4)) - del x520 - t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) - t3new += einsum(x521, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) - del x521 - x522 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) - x522 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x523 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x523 += einsum(x522, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) - del x522 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x523, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -0.5 - del x523 - x524 = np.zeros((navir, navir, nocc, nvir), dtype=types[float]) - x524 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x525 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x525 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 5, 2, 7)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x525, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 0.5 - del x525 - x526 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x526 += einsum(x524, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x524 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x526, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x526 - x527 = np.zeros((navir, nocc), dtype=types[float]) - x527 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (0, 1, 2, 3), (3, 2)) - x528 = np.zeros((navir, navir), dtype=types[float]) - x528 += einsum(t1[np.ix_(so,sV)], (0, 1), x527, (2, 0), (1, 2)) - del x527 - t3new += einsum(x528, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - del x528 - x529 = np.zeros((navir, nocc), dtype=types[float]) - x529 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovoV, (2, 1, 0, 3), (3, 2)) - x530 = np.zeros((navir, navir), dtype=types[float]) - x530 += einsum(t1[np.ix_(so,sV)], (0, 1), x529, (2, 0), (1, 2)) - del x529 - t3new += einsum(x530, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) - del x530 - x531 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) - x531 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x532 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x532 += einsum(t1[np.ix_(so,sv)], (0, 1), x531, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(x532, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 0.5 - del x532 - x533 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) - x533 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) - x534 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x534 += einsum(t1[np.ix_(so,sv)], (0, 1), x533, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(x534, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -0.5 - del x534 - x535 = np.zeros((naocc, naocc, nocc, nvir), dtype=types[float]) - x535 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x536 = np.zeros((naocc, naocc, nocc, nocc), dtype=types[float]) - x536 += einsum(t1[np.ix_(so,sv)], (0, 1), x535, (2, 3, 4, 1), (2, 3, 0, 4)) - del x535 - t3new += einsum(x536, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) - del x536 - x537 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x537 += einsum(x533, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) - del x533 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x537, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x537 - x538 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x538 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 5, 2, 6)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x538, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) - del x538 - x539 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x539 += einsum(x531, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x531 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x539, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x539 - x540 = np.zeros((naocc, nvir), dtype=types[float]) - x540 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 1, 2, 3), (3, 2)) - x541 = np.zeros((naocc, naocc), dtype=types[float]) - x541 += einsum(t1[np.ix_(sO,sv)], (0, 1), x540, (2, 1), (0, 2)) - del x540 - t3new += einsum(x541, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x541 - x542 = np.zeros((naocc, nvir), dtype=types[float]) - x542 += einsum(t1[np.ix_(so,sv)], (0, 1), v.ovvO, (0, 2, 1, 3), (3, 2)) - x543 = np.zeros((naocc, naocc), dtype=types[float]) - x543 += einsum(t1[np.ix_(sO,sv)], (0, 1), x542, (2, 1), (0, 2)) - del x542 - t3new += einsum(x543, (0, 1), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) - del x543 - x544 = np.zeros((naocc, naocc, navir, nocc), dtype=types[float]) - x544 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x545 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x545 += einsum(t1[np.ix_(so,sV)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 1, 4)) - x546 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x546 += einsum(x545, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (0, 2, 4, 5, 6, 7)) - del x545 - t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x546 - x547 = np.zeros((naocc, naocc, navir, nocc), dtype=types[float]) - x547 += einsum(t1[np.ix_(sO,sv)], (0, 1), v.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) - x548 = np.zeros((naocc, naocc, navir, navir), dtype=types[float]) - x548 += einsum(t1[np.ix_(so,sV)], (0, 1), x547, (2, 3, 4, 0), (2, 3, 1, 4)) - del x547 - t3new += einsum(x548, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sv,sVf)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x548 - x549 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x549 += einsum(t1[np.ix_(so,sv)], (0, 1), x155, (2, 3, 4, 0), (2, 3, 4, 1)) - del x155 - t3new += einsum(x549, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 2, 5, 6, 7, 0), (4, 1, 5, 6, 3, 7)) - del x549 - x550 = np.zeros((naocc, naocc, navir, nvir), dtype=types[float]) - x550 += einsum(t1[np.ix_(so,sv)], (0, 1), x544, (2, 3, 4, 0), (2, 3, 4, 1)) - del x544 - t3new += einsum(x550, (0, 1, 2, 3), t3[np.ix_(so,so,sOf,sv,sV,sVf)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) - del x550 - x551 = np.zeros((naocc, navir, navir, nvir), dtype=types[float]) - x551 += einsum(t1[np.ix_(so,sV)], (0, 1), v.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) - x552 = np.zeros((naocc, navir, navir, nocc), dtype=types[float]) - x552 += einsum(t1[np.ix_(so,sv)], (0, 1), x551, (2, 3, 4, 1), (2, 3, 4, 0)) - del x551 - t3new += einsum(x552, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sv,sVf)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) - del x552 - x553 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x553 += einsum(t1[np.ix_(so,sv)], (0, 1), x62, (2, 3, 4, 0), (2, 3, 4, 1)) - del x62 - t3new += einsum(x553, (0, 1, 2, 3), t3[np.ix_(so,sO,sOf,sv,sV,sVf)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -1.0 - del x553 - x554 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x554 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x97, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x97 - t3new += einsum(x554, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x554, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x554 - x555 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x555 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - x556 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x556 += einsum(t1[np.ix_(so,sv)], (0, 1), x555, (2, 3, 4, 1), (2, 3, 0, 4)) - x557 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x557 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x556, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x556 - t3new += einsum(x557, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x557, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x557 - x558 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x558 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x99, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x99 - t3new += einsum(x558, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x558 - x559 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x559 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x93, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x93 - t3new += einsum(x559, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new += einsum(x559, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x559 - x560 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x560 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - x561 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x561 += einsum(t1[np.ix_(so,sv)], (0, 1), x560, (2, 3, 4, 1), (2, 3, 0, 4)) - x562 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x562 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x561, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x561 - t3new += einsum(x562, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x562, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x562 - x563 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x563 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x95, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x95 - t3new += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x563, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x563 - x564 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x564 += einsum(t1[np.ix_(so,sv)], (0, 1), x157, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - x565 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x565 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x564, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) - t3new += einsum(x565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x565, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x565 - x566 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x566 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 3), (1, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x566, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x567 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x567 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x566, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x566 - t3new += einsum(x567, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x567, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x567 - x568 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x568 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 5, 0, 2), (1, 4, 5, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x568, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x568, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x568 - x569 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x569 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 5, 3), (1, 4, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x569, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x569, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x569 - x570 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x570 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x9, (4, 0, 5, 2), (1, 4, 5, 3)) - x571 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x571 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x570, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - t3new += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x571 - x572 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x572 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) - x573 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x573 += einsum(t1[np.ix_(so,sv)], (0, 1), x572, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x573, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 - del x573 - x574 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x574 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x9, (4, 1, 0, 5), (3, 4, 2, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x574, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x575 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x575 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x574, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - del x574 - t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 0.5 - t3new += einsum(x575, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x575 - x576 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x576 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x9, (4, 0, 1, 5), (3, 4, 2, 5)) - del x9 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x576, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - x577 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x577 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x576, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - del x576 - t3new += einsum(x577, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - t3new += einsum(x577, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -0.5 - del x577 - x578 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x578 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) - x579 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x579 += einsum(t1[np.ix_(so,sv)], (0, 1), x578, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x579, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 - del x579 - x580 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x580 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x570, (4, 5, 0, 6), (4, 3, 5, 1, 6, 2)) - del x570 - t3new += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x580 - x581 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x581 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (3, 1, 4, 5)) - x582 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x582 += einsum(t1[np.ix_(so,sv)], (0, 1), x581, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x582, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 - del x582 - x583 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x583 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (3, 1, 4, 5)) - x584 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x584 += einsum(t1[np.ix_(so,sv)], (0, 1), x583, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x584, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * 2.0 - del x584 - x585 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x585 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 7, 1, 2), (4, 5, 6, 0, 7, 3)) - x586 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x586 += einsum(t1[np.ix_(so,sv)], (0, 1), x585, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x585 - t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x586, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x586 - x587 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x587 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x87, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x588 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x588 += einsum(t1[np.ix_(so,sv)], (0, 1), x587, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x587 - t3new += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x588 - x589 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x589 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x555, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x555 - x590 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x590 += einsum(t1[np.ix_(so,sv)], (0, 1), x589, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x589 - t3new += einsum(x590, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new += einsum(x590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x590 - x591 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x591 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x560, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x560 - x592 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x592 += einsum(t1[np.ix_(so,sv)], (0, 1), x591, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x591 - t3new += einsum(x592, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x592 - x593 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x593 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x594 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x594 += einsum(t1[np.ix_(so,sv)], (0, 1), x593, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x593 - t3new += einsum(x594, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x594, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x594 - x595 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x595 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) - x596 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x596 += einsum(t1[np.ix_(so,sv)], (0, 1), x595, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x595 - t3new += einsum(x596, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new += einsum(x596, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x596 - x597 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x597 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x157, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 7, 3)) - del x157 - x598 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x598 += einsum(t1[np.ix_(so,sv)], (0, 1), x597, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x597 - t3new += einsum(x598, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x598, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x598 - x599 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x599 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x572, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) - x600 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x600 += einsum(t1[np.ix_(so,sv)], (0, 1), x599, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x599 - t3new += einsum(x600, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x600, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x600 - x601 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x601 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x578, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x601, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x601 - x602 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x602 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 5, 2), (1, 0, 4, 5)) - x603 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x603 += einsum(t1[np.ix_(so,sv)], (0, 1), x602, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x603, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x604 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x604 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x603, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x603 - t3new += einsum(x604, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x604, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x604 - x605 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x605 += einsum(t1[np.ix_(so,sv)], (0, 1), x602, (2, 3, 0, 4), (2, 3, 4, 1)) - del x602 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x605, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x605, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x605 - x606 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x606 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) - x607 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x607 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) - del x606 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x607, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x607 - x608 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x608 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x581, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x608, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x608 - x609 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x609 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x609, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x609 - x610 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x610 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x578, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) - del x578 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x610, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x610 - x611 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x611 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x572, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) - del x572 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x611, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x611 - x612 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x612 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 2), (1, 4, 3, 5)) - x613 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x613 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x612, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) - del x612 - x614 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x614 += einsum(t1[np.ix_(so,sv)], (0, 1), x613, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x613 - t3new += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x614 - x615 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x615 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 2, 0, 5), (1, 4, 3, 5)) - x616 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x616 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x615, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) - del x615 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x616, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x616 - x617 = np.zeros((naocc, nocc, nvir, nvir), dtype=types[float]) - x617 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) - x618 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x618 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x617, (4, 5, 6, 2), (4, 3, 1, 0, 5, 6)) - del x617 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x618, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x618 - x619 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x619 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x581, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) - del x581 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x619, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x619 - x620 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x620 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) - del x583 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x620, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x620 - x621 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x621 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) - x622 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x622 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x621, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x621 - t3new += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x622 - x623 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x623 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sV)], (2, 3, 1, 4), (3, 4, 2, 0)) - x624 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x624 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x623, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x623 - t3new += einsum(x624, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x624, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x624 - x625 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x625 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x104, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x104 - t3new += einsum(x625, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x625, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x625 - x626 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x626 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x106, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x106 - t3new += einsum(x626, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x626, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x626 - x627 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x627 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x627, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 - x628 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x628 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x627, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x627 - t3new += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x628 - x629 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x629 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 4, 1), (3, 2, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x629, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x630 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x630 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x629, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x629 - t3new += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x630 - x631 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x631 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 2, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x631, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x631, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 - del x631 - x632 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x632 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sv,sv)], (2, 3, 1, 4), (3, 2, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x632, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x632, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x632 - x633 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x633 += einsum(x0, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 3, 2, 0)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x633, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * 2.0 - del x633 - x634 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x634 += einsum(x15, (0, 1), t2[np.ix_(so,so,sv,sV)], (2, 3, 1, 4), (4, 3, 2, 0)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x634, (4, 5, 6, 0), (5, 6, 1, 3, 2, 4)) * -1.0 - del x634 - x635 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x635 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 5, 3), (4, 0, 2, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x635, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x636 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x636 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x635, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x635 - t3new += einsum(x636, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x636 - x637 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x637 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 2, 3), (1, 4, 0, 5)) - x638 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x638 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x637, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x637 - t3new += einsum(x638, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x638, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x638 - x639 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x639 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 5, 2), (4, 0, 3, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x639, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x639, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - del x639 - x640 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x640 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 3, 5), (4, 0, 2, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x640, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * 2.0 - x641 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x641 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x640, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x640 - t3new += einsum(x641, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x641, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x641 - x642 = np.zeros((navir, nocc, nvir, nvir), dtype=types[float]) - x642 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 1, 2, 5), (4, 0, 3, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x642, (4, 5, 6, 2), (0, 5, 1, 3, 6, 4)) * -1.0 - x643 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x643 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x642, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - del x642 - t3new += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x643 - x644 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x644 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 3, 5), (1, 4, 2, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x644, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - del x644 - x645 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x645 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 2, 3), (4, 0, 1, 5)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x645, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 - del x645 - x646 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x646 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 2, 5), (1, 4, 3, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x646, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - del x646 - x647 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x647 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 5, 3), (1, 4, 2, 5)) - x648 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x648 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x647, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x647 - t3new += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x648 - x649 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x649 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 0, 5, 2), (1, 4, 3, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x649, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - del x649 - x650 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x650 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x168, (4, 5, 3, 2), (1, 4, 0, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x650, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x650 - x651 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x651 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 1, 3), (4, 0, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x651, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x652 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x652 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x651, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - del x651 - t3new += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x652 - x653 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x653 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 5, 1, 2), (4, 0, 5, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x653, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x653, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x653 - x654 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x654 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x654, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * 2.0 - x655 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x655 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x654, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - del x654 - t3new += einsum(x655, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new += einsum(x655, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x655 - x656 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x656 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 1, 2), (4, 3, 0, 5)) - x657 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x657 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x656, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x656 - t3new += einsum(x657, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x657, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x657 - x658 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x658 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 5, 2), (4, 0, 5, 3)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x658, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x659 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x659 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x658, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - del x658 - t3new += einsum(x659, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new += einsum(x659, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x659 - x660 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x660 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 1, 0, 5), (4, 3, 2, 5)) - x661 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x661 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x660, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x660 - t3new += einsum(x661, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - t3new += einsum(x661, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -0.5 - del x661 - x662 = np.zeros((naocc, navir, nvir, nvir), dtype=types[float]) - x662 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 0, 1, 5), (4, 3, 2, 5)) - x663 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x663 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x662, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x662 - t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 - t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x663, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 0.5 - del x663 - x664 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x664 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 1, 5, 2), (4, 3, 0, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x664, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x664 - x665 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x665 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 0, 5, 2), (4, 3, 1, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x665, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - del x665 - x666 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x666 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 0, 2), (4, 3, 1, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x666, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x666 - x667 = np.zeros((naocc, nvir, nvir, nvir), dtype=types[float]) - x667 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x179, (4, 1, 0, 5), (4, 3, 2, 5)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x667, (4, 5, 6, 2), (1, 0, 4, 6, 5, 3)) * -1.0 - del x667 - x668 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x668 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 5, 0, 3), (1, 2, 4, 5)) - x669 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x669 += einsum(t1[np.ix_(so,sv)], (0, 1), x668, (2, 3, 4, 1), (2, 3, 0, 4)) - x670 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x670 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x669, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x669 - t3new += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x670 - x671 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x671 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), v.ovov, (4, 3, 0, 5), (1, 2, 4, 5)) - x672 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x672 += einsum(t1[np.ix_(so,sv)], (0, 1), x671, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x672, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x672 - x673 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x673 += einsum(t1[np.ix_(so,sv)], (0, 1), x187, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x673, (4, 5, 6, 7, 0, 1), (7, 6, 4, 3, 2, 5)) * -1.0 - x674 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x674 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x668, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x668 - x675 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x675 += einsum(t1[np.ix_(so,sv)], (0, 1), x674, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x674 - t3new += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x675 - x676 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x676 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x671, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x671 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x676, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x676 - x677 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x677 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x677, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x677 - x678 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x678 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x678, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x678 - x679 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x679 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 1, 7, 2), (4, 5, 6, 0, 7, 3)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x679 - x680 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x680 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x87, (4, 5, 6, 0), (1, 2, 4, 5, 6, 3)) - del x87 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x680, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x680 - x681 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x681 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x187, (4, 5, 6, 7, 1, 2), (4, 5, 6, 0, 7, 3)) - del x187 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x681, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x681 - x682 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x682 += einsum(x0, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 2, 0)) - del x0 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x682, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - del x682 - x683 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x683 += einsum(x15, (0, 1), t2[np.ix_(so,sO,sV,sv)], (2, 3, 4, 1), (3, 4, 2, 0)) - del x15 - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x683, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x683 - x684 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x684 += einsum(t2[np.ix_(so,sO,sv,sV)], (0, 1, 2, 3), x92, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) - x685 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x685 += einsum(t1[np.ix_(so,sv)], (0, 1), x684, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x684 - t3new += einsum(x685, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x685, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x685 - x686 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x686 += einsum(t1[np.ix_(so,sv)], (0, 1), x564, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x564 - x687 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x687 += einsum(t1[np.ix_(so,sv)], (0, 1), x686, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x686 - t3new += einsum(x687, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x687, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x687 - x688 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x688 += einsum(t1[np.ix_(so,sv)], (0, 1), x168, (2, 3, 1, 4), (2, 0, 3, 4)) - x689 = np.zeros((navir, nocc, nocc, nocc), dtype=types[float]) - x689 += einsum(t1[np.ix_(so,sv)], (0, 1), x688, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x689, (4, 5, 6, 0), (6, 5, 1, 3, 2, 4)) * -1.0 - del x689 - x690 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x690 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x688, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - x691 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x691 += einsum(t1[np.ix_(so,sv)], (0, 1), x690, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x690 - t3new += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x691 - x692 = np.zeros((navir, nocc, nocc, nvir), dtype=types[float]) - x692 += einsum(t1[np.ix_(so,sv)], (0, 1), x168, (2, 3, 4, 1), (2, 0, 3, 4)) - del x168 - x693 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x693 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x692, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x693, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x693 - x694 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x694 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x692, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) - del x692 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x694, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x694 - x695 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x695 += einsum(t2[np.ix_(so,sO,sv,sv)], (0, 1, 2, 3), x688, (4, 5, 6, 2), (1, 4, 5, 0, 6, 3)) - del x688 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x695, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x695 - x696 = np.zeros((naocc, nocc, nocc, nocc), dtype=types[float]) - x696 += einsum(t1[np.ix_(so,sv)], (0, 1), x179, (2, 3, 4, 1), (2, 0, 4, 3)) - x697 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x697 += einsum(t1[np.ix_(so,sv)], (0, 1), x696, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x697, (4, 5, 0, 6), (1, 5, 4, 2, 6, 3)) * -1.0 - x698 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x698 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x697, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x697 - t3new += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new += einsum(x698, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x698 - x699 = np.zeros((naocc, nocc, nocc, nvir), dtype=types[float]) - x699 += einsum(t1[np.ix_(so,sv)], (0, 1), x696, (2, 3, 0, 4), (2, 3, 4, 1)) - del x696 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x699, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - t3new += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x699, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x699 - x700 = np.zeros((naocc, navir, nocc, nocc, nocc, nocc), dtype=types[float]) - x700 += einsum(t2[np.ix_(so,so,sv,sV)], (0, 1, 2, 3), x179, (4, 5, 6, 2), (4, 3, 1, 0, 6, 5)) - del x179 - x701 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x701 += einsum(t1[np.ix_(so,sv)], (0, 1), x700, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x700 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x701, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x701 - x702 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x702 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) - x703 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x703 += einsum(t1[np.ix_(so,sv)], (0, 1), x702, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x703, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - del x703 - x704 = np.zeros((naocc, navir, nocc, nvir), dtype=types[float]) - x704 += einsum(t1[np.ix_(so,sV)], (0, 1), t1[np.ix_(sO,sv)], (2, 3), v.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - x705 = np.zeros((naocc, navir, nocc, nocc), dtype=types[float]) - x705 += einsum(t1[np.ix_(so,sv)], (0, 1), x704, (2, 3, 4, 1), (2, 3, 0, 4)) - x706 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x706 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x705, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x705 - t3new += einsum(x706, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - t3new += einsum(x706, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - del x706 - x707 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x707 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x702, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x702 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x707, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x707 - x708 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x708 += einsum(t2[np.ix_(so,so,sv,sv)], (0, 1, 2, 3), x704, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x704 - x709 = np.zeros((naocc, navir, nocc, nocc, nvir, nvir), dtype=types[float]) - x709 += einsum(t1[np.ix_(so,sv)], (0, 1), x708, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x708 - t3new += einsum(x709, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) - t3new += einsum(x709, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) - del x709 - x710 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x710 += einsum(t2[np.ix_(so,sO,sV,sv)], (0, 1, 2, 3), x92, (4, 5, 0, 6), (1, 2, 5, 4, 6, 3)) - del x92 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x710, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x710 - x711 = np.zeros((naocc, navir, nocc, nocc, nocc, nvir), dtype=types[float]) - x711 += einsum(t1[np.ix_(so,sv)], (0, 1), x673, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x673 - t3new += einsum(t1[np.ix_(so,sv)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x711 - - return {"t1new": t1new, "t2new": t2new, "t3new": t3new} - diff --git a/ebcc/codegen/UCCSDt.py b/ebcc/codegen/UCCSDt.py deleted file mode 100644 index f8a8c278..00000000 --- a/ebcc/codegen/UCCSDt.py +++ /dev/null @@ -1,10413 +0,0 @@ -# Code generated for ebcc. - -from ebcc import numpy as np -from ebcc.util import pack_2e, einsum, Namespace -from ebcc.precision import types - -def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kwargs): - # energy - e_cc = 0 - e_cc += einsum(t2.bbbb, (0, 1, 2, 3), v.bbbb.ovov, (0, 3, 1, 2), ()) * -1.0 - e_cc += einsum(t2.abab, (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 3), ()) - e_cc += einsum(t2.aaaa, (0, 1, 2, 3), v.aaaa.ovov, (0, 2, 1, 3), ()) - x0 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) - x0 += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) * -1.0 - x1 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x1 += einsum(f.bb.ov, (0, 1), (0, 1)) * 2.0 - x1 += einsum(t1.aa, (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) * 2.0 - x1 += einsum(t1.bb, (0, 1), x0, (0, 2, 1, 3), (2, 3)) * -1.0 - del x0 - e_cc += einsum(t1.bb, (0, 1), x1, (0, 1), ()) * 0.5 - del x1 - x2 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 - x2 += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - x3 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x3 += einsum(f.aa.ov, (0, 1), (0, 1)) * 2.0 - x3 += einsum(t1.aa, (0, 1), x2, (0, 2, 3, 1), (2, 3)) * -1.0 - del x2 - e_cc += einsum(t1.aa, (0, 1), x3, (0, 1), ()) * 0.5 - del x3 - - return e_cc - -def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs): - t1new = Namespace() - t2new = Namespace() - t3new = Namespace() - - nocc = (space[0].ncocc, space[1].ncocc) - nvir = (space[0].ncvir, space[1].ncvir) - naocc = (space[0].naocc, space[1].naocc) - navir = (space[0].navir, space[1].navir) - soa = np.ones((nocc[0],), dtype=bool) - sva = np.ones((nvir[0],), dtype=bool) - sob = np.ones((nocc[1],), dtype=bool) - svb = np.ones((nvir[1],), dtype=bool) - sOa = space[0].active[space[0].correlated][space[0].occupied[space[0].correlated]] - sVa = space[0].active[space[0].correlated][space[0].virtual[space[0].correlated]] - sOb = space[1].active[space[1].correlated][space[1].occupied[space[1].correlated]] - sVb = space[1].active[space[1].correlated][space[1].virtual[space[1].correlated]] - sOfa = np.ones((naocc[0],), dtype=bool) - sVfa = np.ones((navir[0],), dtype=bool) - sOfb = np.ones((naocc[1],), dtype=bool) - sVfb = np.ones((navir[1],), dtype=bool) - - # T amplitudes - t1new_bb = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.ov, (0, 1), (0, 1)) - t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.oo, (0, 1), t1.bb[np.ix_(sob,svb)], (1, 2), (0, 2)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.vv, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (2, 0)) - t1new_bb[np.ix_(sob,svb)] += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 1), (4, 3)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 3), (1, 4)) - t1new_bb[np.ix_(sob,svb)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 2, 1, 5, 3), (4, 5)) - t1new_bb[np.ix_(sob,svb)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 2.0 - t1new_bb[np.ix_(sob,svb)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 - t1new_aa = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.ov, (0, 1), (0, 1)) - t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.oo, (0, 1), t1.aa[np.ix_(soa,sva)], (1, 2), (0, 2)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.vv, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (2, 0)) - t1new_aa[np.ix_(soa,sva)] += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovv, (2, 0, 3, 1), (2, 3)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 3), (4, 2)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 3), (0, 4)) - t1new_aa[np.ix_(soa,sva)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 0, 5, 3, 1), (4, 5)) * 2.0 - t1new_aa[np.ix_(soa,sva)] += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 4, 2, 1, 5, 3), (4, 5)) - t1new_aa[np.ix_(soa,sva)] += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 2, 5, 1, 3), (4, 5)) * 3.0 - t2new_aaaa = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(v.aaaa.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(f.aa.OV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t2new_abab = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.oo, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.vv, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.vv, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovoo, (2, 3, 4, 0), (2, 4, 3, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.aa.OV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(f.bb.OV, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oovv, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oovv, (4, 0, 5, 2), (4, 1, 5, 3)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 1), (0, 5, 4, 3)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (1, 3, 4, 5), (0, 4, 2, 5)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 2, 5, 6, 3), (0, 4, 5, 6)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 0, 6, 3), (4, 5, 2, 6)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.OVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 3, 1), (4, 5, 6, 2)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 2, 5, 6, 3), (0, 4, 6, 5)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 2, 5, 6, 3), (4, 0, 6, 5)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 0, 6, 3), (5, 4, 6, 2)) * -2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(v.aabb.vvOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 1, 3), (5, 4, 0, 6)) * 2.0 - t2new_bbbb = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 1, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(v.bbbb.ovov, (0, 1, 2, 3), (0, 2, 3, 1)) * -1.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(f.bb.OV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t3new_aaaaaa = np.zeros((nocc[0], nocc[0], naocc[0], nvir[0], nvir[0], navir[0]), dtype=np.float64) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(f.aa.OO, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(f.aa.VV, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(v.aaaa.oooo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (3, 1, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(v.aaaa.vvvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 6.0 - t3new_babbab = np.zeros((nocc[1], nocc[0], naocc[1], nvir[1], nvir[0], navir[1]), dtype=np.float64) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(f.bb.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(f.aa.oo, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(f.bb.OO, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(f.bb.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(f.aa.vv, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(f.bb.VV, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.bbbb.oovO, (4, 1, 5, 6), (4, 0, 6, 5, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.oovO, (4, 0, 5, 6), (1, 4, 6, 5, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooOV, (4, 1, 5, 6), (4, 0, 5, 3, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooOV, (4, 0, 5, 6), (1, 4, 5, 3, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 5, 1, 6), (4, 0, 6, 5, 2, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oOoV, (1, 4, 5, 6), (5, 0, 4, 3, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.oooV, (4, 0, 5, 6), (5, 4, 1, 3, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 5, 3, 6), (4, 0, 1, 5, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvv, (4, 5, 6, 3), (4, 0, 1, 6, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvvO, (4, 2, 5, 6), (1, 0, 6, 5, 4, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.vvOV, (4, 3, 5, 6), (1, 0, 5, 4, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvOV, (4, 2, 5, 6), (1, 0, 5, 3, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.vOvV, (4, 5, 3, 6), (1, 0, 5, 4, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.vvoV, (4, 2, 5, 6), (5, 0, 1, 3, 4, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 5, 1, 6), (0, 4, 6, 2, 5, 3)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 5, 6, 0), (6, 4, 1, 2, 5, 3)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 5, 3, 6), (0, 4, 1, 2, 5, 6)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (5, 4, 2, 7, 6, 3)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.OVvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (5, 4, 3, 2, 6, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.OVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 7, 6, 3)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.ooOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 3, 5, 6, 7), (4, 0, 2, 5, 6, 7)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.ooVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 7, 3), (4, 0, 5, 6, 7, 2)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.vvOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 6, 1, 7), (4, 5, 2, 6, 0, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 1, 7), (2, 4, 5, 6, 0, 7)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 2, 0, 7)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(v.aabb.vvVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) * 2.0 - t3new_abaaba = np.zeros((nocc[0], nocc[1], naocc[0], nvir[0], nvir[1], navir[0]), dtype=np.float64) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(f.aa.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(f.bb.oo, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(f.aa.OO, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(f.aa.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(f.bb.vv, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(f.aa.VV, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooOV, (4, 0, 5, 6), (4, 1, 5, 2, 3, 6)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oOoV, (0, 4, 5, 6), (5, 1, 4, 2, 3, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.vvOV, (4, 2, 5, 6), (0, 1, 5, 4, 3, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.vOvV, (4, 5, 2, 6), (0, 1, 5, 4, 3, 6)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVoo, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVvv, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aaaa.oovO, (4, 0, 5, 6), (4, 1, 6, 5, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 5, 0, 6), (4, 1, 6, 5, 3, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOoo, (4, 5, 6, 1), (0, 6, 5, 4, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOvv, (4, 5, 6, 3), (0, 1, 5, 4, 6, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 5, 2, 6), (4, 1, 0, 5, 3, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVoo, (4, 5, 6, 1), (4, 6, 0, 2, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVvv, (4, 5, 6, 3), (4, 1, 0, 2, 6, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvv, (4, 5, 6, 2), (4, 1, 0, 6, 3, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 5, 6, 1), (4, 6, 0, 5, 3, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.oOov, (1, 4, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.vVov, (3, 4, 5, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 3, 5, 6, 7), (0, 4, 2, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.oooo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 2)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 6, 7, 3), (0, 4, 5, 6, 7, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 2, 6, 7), (4, 5, 1, 0, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.OVOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.OOoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 1, 6, 7), (4, 5, 2, 0, 6, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.OOvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.OOVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.vvoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 1, 6, 7), (4, 2, 5, 0, 6, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.vvvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.VVoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.VVvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.OVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 7, 3), (5, 4, 0, 7, 6, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.vOOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 6, 7, 3), (5, 4, 1, 0, 6, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.oVOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 7, 6, 1)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 6, 7, 3), (0, 4, 5, 1, 6, 7)) * 2.0 - t3new_bbbbbb = np.zeros((nocc[1], nocc[1], naocc[1], nvir[1], nvir[1], navir[1]), dtype=np.float64) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(f.bb.OO, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(f.bb.VV, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (4, 5, 2, 6, 7, 3)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(v.bbbb.oooo, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(v.bbbb.OVOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 2, 6, 7, 3), (4, 5, 0, 6, 7, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(v.bbbb.OOVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(v.bbbb.vvvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 3, 1, 7), (4, 5, 6, 0, 2, 7)) * -6.0 - x0 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x0 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (0, 1, 2, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), (0, 1)) - t1new_bb[np.ix_(sob,svb)] += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x1 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x1 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 1), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), (0, 1)) - t1new_bb[np.ix_(sob,svb)] += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * 2.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x2 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x2 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 3), (4, 2)) - t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(x2, (0, 1), (0, 1)) * -1.0 - del x2 - x3 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x3 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 2, 4, 3), (0, 4)) - t1new_bb[np.ix_(sob,svb)] += einsum(x3, (0, 1), (0, 1)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(x3, (0, 1), (0, 1)) * -1.0 - del x3 - x4 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x4 += einsum(f.bb.ov, (0, 1), t1.bb[np.ix_(sob,svb)], (2, 1), (0, 2)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x4, (0, 2), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x4, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 4), (2, 1, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x4, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x4, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 - x5 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) - x5 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (0, 1, 2, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x5, (2, 1), (0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x5, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x5, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x5, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - x6 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x6 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (0, 1, 2, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x6, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x6, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x6, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x6, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x7 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x7 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 1), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x7, (2, 0), (2, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x7, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x7, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x7, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - x8 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x8 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 1), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x8, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x8, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x8, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x8, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x9 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) - x9 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 1), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x9, (1, 2), (0, 2)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x9, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x9, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x9, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 - x10 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) - x10 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (0, 1, 2, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x10, (2, 1), (0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x10, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x10, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x10, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - x11 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x11 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 0, 1), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), (0, 1)) - t1new_aa[np.ix_(soa,sva)] += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x12 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x12 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 1, 0, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 - x13 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x13 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (2, 0, 4, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 2), (4, 3)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x13, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x13, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - x14 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x14 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 3), (1, 4)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x14, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x14, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x14, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x14, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x15 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x15 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovov, (2, 3, 0, 1), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 1, 3), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), (0, 1)) - t1new_aa[np.ix_(soa,sva)] += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 1), (2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,sVb)] += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * 2.0 - x16 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x16 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x17 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x17 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 1, 3), (4, 2)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(x17, (0, 1), (0, 1)) * -1.0 - del x17 - x18 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x18 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 2), (0, 4)) * -1.0 - x19 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x19 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x18, (2, 0), (2, 1)) - t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 - t1new_bb[np.ix_(sob,svb)] += einsum(x19, (0, 1), (0, 1)) * -1.0 - del x19 - x20 = np.zeros((nocc[1], nvir[1]), dtype=np.float64) - x20 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovov, (2, 1, 0, 3), (2, 3)) - t1new_bb[np.ix_(sob,svb)] += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 1), (2, 3)) * -2.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 0, 3, 1), (2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,sOa,sva,sVa)] += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 0, 3, 4, 1, 5), (2, 3, 4, 5)) * -2.0 - x21 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x21 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x0, (2, 1), (0, 2)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x21, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x21, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x21, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x21, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x22 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x22 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x20, (2, 1), (0, 2)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x22, (2, 0), (2, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x22, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x22, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x22, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - x23 = np.zeros((nocc[1], nocc[1]), dtype=np.float64) - x23 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1, (2, 1), (0, 2)) - t1new_bb[np.ix_(sob,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x23, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x23, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x23, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x23, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - x24 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x24 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 1, 3), (4, 2)) - t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x24, (0, 1), (0, 1)) * -1.0 - del x24 - x25 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x25 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 2, 4, 3), (0, 4)) - t1new_aa[np.ix_(soa,sva)] += einsum(x25, (0, 1), (0, 1)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x25, (0, 1), (0, 1)) * -1.0 - del x25 - x26 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x26 += einsum(f.aa.ov, (0, 1), t1.aa[np.ix_(soa,sva)], (2, 1), (0, 2)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x26, (0, 2), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x26, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (0, 2, 3, 4), (1, 2, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x26, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 3, 4, 5, 6), (2, 1, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x26, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 3, 4, 5, 6), (1, 2, 3, 4, 5, 6)) * -2.0 - x27 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x27 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 1), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x27, (2, 0), (2, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x27, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x27, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x27, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - x28 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x28 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 0, 1), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x28, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x28, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x28, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x28, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x29 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) - x29 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 1), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x29, (1, 2), (0, 2)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x29, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 0, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x29, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x29, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 0, 5, 6), (2, 3, 4, 1, 5, 6)) * -2.0 - x30 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) - x30 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (0, 1, 2, 3), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x30, (2, 1), (0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x30, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x30, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x30, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - x31 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x31 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 0, 1), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x31, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x31, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x31, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x31, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x32 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) - x32 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 0, 1), (2, 3)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x32, (2, 1), (0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x32, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x32, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x32, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * 2.0 - x33 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x33 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) - t1new_aa[np.ix_(soa,sva)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 3), (4, 2)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x33, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x33, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x33, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - x34 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x34 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 3), (0, 4)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x34, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x34, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x34, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x34, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x35 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x35 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - x36 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x36 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 1, 3), (4, 2)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x36, (0, 1), (0, 1)) * -1.0 - del x36 - x37 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x37 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 1, 2), (0, 4)) * -1.0 - x38 = np.zeros((nocc[0], nvir[0]), dtype=np.float64) - x38 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x37, (2, 0), (2, 1)) - t1new_aa[np.ix_(soa,sva)] += einsum(x38, (0, 1), (0, 1)) * -1.0 - t1new_aa[np.ix_(soa,sva)] += einsum(x38, (0, 1), (0, 1)) * -1.0 - del x38 - x39 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x39 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x12, (2, 1), (0, 2)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x39, (2, 0), (2, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x39, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x39, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x39, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * 2.0 - x40 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x40 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x11, (2, 1), (0, 2)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x40, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x40, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x40, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x40, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x41 = np.zeros((nocc[0], nocc[0]), dtype=np.float64) - x41 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x15, (2, 1), (0, 2)) - t1new_aa[np.ix_(soa,sva)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x41, (2, 0), (2, 1)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x41, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x41, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (2, 0, 3, 4, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x41, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (0, 2, 3, 4, 5, 6)) * -2.0 - x42 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x42 += einsum(f.aa.oo, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x42, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x42 - x43 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x43 += einsum(f.aa.vv, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x43, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x43, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x43 - x44 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x44 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x44, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x44 - x45 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x45 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x45, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x45, (4, 0, 2, 5), (4, 1, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x45, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x45, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 - x46 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x46 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x46, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - x47 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x47 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x47, (0, 1, 2, 3), (1, 0, 3, 2)) - del x47 - x48 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x48 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x48, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x48 - x49 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x49 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x49, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - x50 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x50 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x50, (0, 1, 2, 3), (1, 0, 3, 2)) - del x50 - x51 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x51 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 1, 5, 3, 6), (6, 4, 0, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x51, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 - del x51 - x52 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x52 += einsum(v.aabb.vVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 1), (5, 4, 6, 0)) - t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x52, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - del x52 - x53 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x53 += einsum(v.aaaa.ooOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x53, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 - del x53 - x54 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x54 += einsum(v.aaaa.vOvV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x54, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 - del x54 - x55 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x55 += einsum(x26, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 0, 3, 4), (1, 2, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x55, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x55, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x55 - x56 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x56 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (0, 2, 3, 4)) - x57 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x57 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x56, (0, 2, 3, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x57, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x57, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x57 - x58 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x58 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - x59 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x59 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x58, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x59, (0, 1, 2, 3), (1, 0, 3, 2)) - del x59 - x60 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x60 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - x61 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x61 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x60, (2, 0, 3, 4), (3, 2, 4, 1)) - del x60 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x61, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x61 - x62 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x62 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x35, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x62, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x62 - x63 = np.zeros((nocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x63 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x64 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x64 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x63, (2, 3, 1, 4), (0, 2, 3, 4)) - del x63 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x64, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x64, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x64 - x65 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x65 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - x66 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x66 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x65, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x66, (0, 1, 2, 3), (1, 0, 3, 2)) - del x66 - x67 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x67 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x67, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 5, 2)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x67, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * 6.0 - x68 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x68 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x67, (4, 1, 5, 3), (4, 0, 2, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x68, (0, 1, 2, 3), (1, 0, 2, 3)) - del x68 - x69 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x69 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x70 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x70 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x69, (4, 5, 0, 1), (4, 5, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x70, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x70 - x71 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x71 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - x72 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x72 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x71, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x72, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x72 - x73 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x73 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - x74 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x74 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x73, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x74, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x74 - x75 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x75 += einsum(x27, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x75, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x75, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x75 - x76 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x76 += einsum(x28, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x76, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x76, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x76 - x77 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x77 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x77, (4, 0, 5, 2), (4, 1, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x77, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x77, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - x78 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x78 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x77, (4, 1, 5, 3), (4, 0, 2, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x78, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x78 - x79 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x79 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x45, (4, 1, 3, 5), (4, 0, 2, 5)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x79, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x79 - x80 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x80 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 3), (0, 1, 4, 5)) - x81 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x81 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x80, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x81, (0, 1, 2, 3), (0, 1, 3, 2)) - del x81 - x82 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x82 += einsum(x30, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x82, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x82, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x82 - x83 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x83 += einsum(x29, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 0), (2, 3, 4, 1)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x83, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x83, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x83 - x84 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x84 += einsum(x31, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x84, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x84, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x84 - x85 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x85 += einsum(x32, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x85, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x85, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - del x85 - x86 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x86 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (2, 0, 3, 4)) - x87 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x87 += einsum(x86, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 0, 5, 3, 6), (6, 1, 4, 5)) - del x86 - t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sVa)] += einsum(x87, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 - del x87 - x88 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x88 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 1), (5, 4, 0, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x89 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x89 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x88, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x89, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,sOa,sva,sva)] += einsum(x89, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x89 - x90 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x90 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x90, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x90, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x91 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x91 += einsum(x90, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x91, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 - del x91 - x92 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x92 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x92, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 0, 5, 6, 1), (2, 4, 5, 6)) - x93 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x93 += einsum(x92, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) - del x92 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x93, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 - del x93 - x94 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x94 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) - x95 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x95 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x94, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x95, (0, 1, 2, 3), (0, 1, 3, 2)) * -6.0 - del x95 - x96 = np.zeros((naocc[0], navir[0]), dtype=np.float64) - x96 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOV, (0, 1, 2, 3), (2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x96, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x96, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 - del x96 - x97 = np.zeros((naocc[0], navir[0]), dtype=np.float64) - x97 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvO, (0, 2, 1, 3), (3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x97, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x97, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -2.0 - del x97 - x98 = np.zeros((naocc[0], navir[0]), dtype=np.float64) - x98 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 0, 1), (2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x98, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x98, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 2.0 - del x98 - x99 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x99 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x99, (0, 1, 2, 3), (0, 1, 2, 3)) - x100 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x100 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x99, (4, 1, 5, 3), (4, 0, 5, 2)) - del x99 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x100, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x100, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x100 - x101 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x101 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - x102 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x102 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x101, (4, 1, 5, 3), (4, 0, 5, 2)) - del x101 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x102, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x102, (0, 1, 2, 3), (0, 1, 3, 2)) - del x102 - x103 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x103 += einsum(x34, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x103, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x103, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x103 - x104 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x104 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x46, (4, 1, 5, 3), (0, 4, 2, 5)) - del x46 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x104, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - del x104 - x105 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) - x105 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 1, 3), (2, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x105, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x105, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x105, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 - x106 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x106 += einsum(x105, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x106, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - del x106 - x107 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x107 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x49, (4, 1, 5, 3), (4, 0, 5, 2)) - del x49 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x107, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x107, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 - del x107 - x108 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x108 += einsum(x37, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x108, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x108 - x109 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x109 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - x110 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x110 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x109, (4, 1, 5, 3), (4, 0, 5, 2)) - del x109 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x110, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x110, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 - del x110 - x111 = np.zeros((nvir[0], nvir[0]), dtype=np.float64) - x111 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (0, 4, 1, 3), (2, 4)) - x112 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x112 += einsum(x111, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x112, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x112 - x113 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x113 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) - x114 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x114 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x113, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x114, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x114 - x115 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x115 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x69, (2, 3, 4, 0), (2, 4, 3, 1)) - x116 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x116 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x115, (2, 0, 3, 4), (2, 3, 1, 4)) - del x115 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x116, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x116 - x117 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x117 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x45, (2, 3, 1, 4), (0, 2, 3, 4)) - x118 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x118 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x117, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x118, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x118 - x119 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x119 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (4, 0, 5, 2)) - x120 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x120 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x119, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x120, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x120 - x121 = np.zeros((nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x121 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x35, (2, 3, 4, 1), (2, 0, 4, 3)) - x122 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x122 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x121, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x122, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x122, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x122 - x123 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x123 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 1, 5, 3), (4, 0, 5, 2)) - x124 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x124 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x123, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x124, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x124 - x125 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x125 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x35, (4, 5, 1, 3), (4, 0, 5, 2)) - x126 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x126 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x125, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x126, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x126 - x127 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x127 += einsum(x39, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x127, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x127, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x127 - x128 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x128 += einsum(x40, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x128, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x128, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x128 - x129 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x129 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x113, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - x130 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x130 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x129, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - del x129 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x130, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x130, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x130 - x131 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x131 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - x132 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x132 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x131, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x132, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x132, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x132 - x133 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x133 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - x134 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x134 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x133, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x134, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x134, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x134 - x135 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x135 += einsum(x41, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x135, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x135, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x135 - x136 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x136 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sva)], (2, 3, 4, 1), (2, 3, 0, 4)) - x137 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x137 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x136, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x137, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x137, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x137 - x138 = np.zeros((nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x138 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x121, (2, 3, 0, 4), (3, 2, 4, 1)) - x139 = np.zeros((nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x139 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x138, (2, 3, 0, 4), (2, 3, 1, 4)) - del x138 - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x139, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_aaaa[np.ix_(soa,soa,sva,sva)] += einsum(x139, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x139 - x140 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (2, 0, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x140, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x140, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x140, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 2, 7), (4, 1, 5, 6, 3, 7)) * 6.0 - x141 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x141 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (4, 1, 5, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x141, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x141, (1, 4, 3, 5), (0, 4, 2, 5)) * 2.0 - x142 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x142 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (4, 0, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x142, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x142, (1, 4, 3, 5), (0, 4, 2, 5)) * 4.0 - x143 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x143 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x143, (0, 2, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x143, (0, 4, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x143, (0, 4, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x143 - x144 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x144 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 0, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x144, (2, 0, 3, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x144, (4, 0, 5, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x144, (4, 1, 5, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x144 - x145 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x145 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oovv, (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x145, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x145, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x145, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x145 - x146 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x146 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x146, (2, 0, 3, 4), (2, 3, 1, 4)) - del x146 - x147 = np.zeros((nocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x147 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x147, (2, 3, 1, 4), (0, 2, 3, 4)) - del x147 - x148 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x148 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvoo, (2, 1, 3, 4), (0, 3, 4, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x148, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x148, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x148, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x148 - x149 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x149 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (4, 5, 1, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x149, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x149, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x149, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x149 - x150 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x150 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (4, 5, 1, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x150, (2, 0, 3, 4), (2, 3, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x150, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x150, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 - del x150 - x151 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x151 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x151, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x151, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x151, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x152 = np.zeros((nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x152 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x152, (4, 0, 5, 3), (4, 1, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x152, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 - del x152 - x153 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x153 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x153, (2, 0, 3, 4), (2, 3, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x153, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x153, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 - del x153 - x154 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (0, 4, 1, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x154, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x154, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x154, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x154 - x155 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x155 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (4, 5, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x155, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x155, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x155, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 - del x155 - x156 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x156 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x156, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x156, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x156, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x157 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x157 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x157, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x157, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x157, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x157 - x158 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x158 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x158, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x158, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x158, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) - del x158 - x159 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x159 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (4, 1, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x159, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x159, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x159, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) - del x159 - x160 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x160 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (0, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x160, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (0, 4, 5, 2, 6, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x160, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (4, 0, 5, 6, 2, 7)) * -2.0 - x161 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (0, 4, 2, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x161, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x161, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 2, 6, 7), (0, 4, 5, 3, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x161, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 2, 7), (4, 0, 5, 6, 3, 7)) * 2.0 - x162 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x162 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x162, (4, 1, 5, 2), (0, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x162, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 6, 3, 7), (0, 4, 5, 6, 2, 7)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 3, 6, 7), (4, 0, 5, 2, 6, 7)) * -2.0 - x163 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x163 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x163, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x163, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x163, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x163 - x164 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x164 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoo, (1, 3, 4, 5), (0, 4, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x164, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x164, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x164, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 - del x164 - x165 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x165 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 2, 1, 6, 3), (4, 0, 5, 6)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x165, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x165, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 - del x165 - x166 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x166 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x166, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 0, 5, 6, 1), (2, 4, 6, 5)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x166, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - x167 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x167 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x167, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x167, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 - del x167 - x168 = np.zeros((naocc[1], navir[1]), dtype=np.float64) - x168 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOV, (0, 1, 2, 3), (2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x168, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x168, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - del x168 - x169 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x169, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 0, 5, 6, 1), (4, 2, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x169, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - x170 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x170 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 3, 1), (4, 5, 2, 6)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x170, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x170, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x170, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 - del x170 - x171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x171 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x171, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (4, 3, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x172, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 0, 5, 6, 1), (4, 2, 6, 5)) - x173 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x173 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x173, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x173, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x173, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 - del x173 - x174 = np.zeros((naocc[1], navir[1]), dtype=np.float64) - x174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOV, (0, 1, 2, 3), (2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x174, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x174, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * 6.0 - del x174 - x175 = np.zeros((naocc[1], navir[1]), dtype=np.float64) - x175 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvO, (0, 2, 1, 3), (3, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x175, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 1), (3, 2, 5, 4)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x175, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 1), (2, 3, 4, 5)) * -6.0 - del x175 - x176 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x176 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x176, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x176, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x177 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) - x177 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 1, 4), (3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x177, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x177, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (2, 3, 4, 0, 5, 6)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x177, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (2, 3, 4, 5, 0, 6)) * -2.0 - x178 = np.zeros((nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x178 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x178, (4, 1, 5, 2), (0, 4, 5, 3)) - del x178 - x179 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x179 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 4, 3, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x179, (4, 1, 5, 3), (0, 4, 2, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x179, (0, 1, 2, 3), (1, 0, 3, 2)) - del x179 - x180 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x180 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (0, 4, 2, 5)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x180, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - x181 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x181 += einsum(x18, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x181, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x181, (0, 1, 2, 3), (0, 1, 2, 3)) - del x181 - x182 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x182 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (0, 4, 2, 5)) * -2.0 - x183 = np.zeros((nvir[1], nvir[1]), dtype=np.float64) - x183 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (0, 4, 1, 3), (2, 4)) - x184 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x184 += einsum(x183, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x184, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x184, (0, 1, 2, 3), (0, 1, 2, 3)) - del x184 - x185 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x185 += einsum(x111, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 3, 0, 4)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x185, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x185, (0, 1, 2, 3), (0, 1, 2, 3)) - del x185 - x186 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x186 += einsum(x37, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (1, 2, 3, 4), (0, 2, 3, 4)) * -1.0 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x186, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(x186, (0, 1, 2, 3), (0, 1, 2, 3)) - del x186 - x187 = np.zeros((nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x187 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (4, 1, 5, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x187, (1, 4, 3, 5), (0, 4, 2, 5)) * -2.0 - x188 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x188 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x140, (2, 3, 1, 4), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x188, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x188, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x188, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x188 - x189 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x189 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x151, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x189, (2, 0, 3, 4), (2, 3, 1, 4)) - del x189 - x190 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x190 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x156, (2, 3, 4, 0), (3, 2, 4, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x190, (0, 2, 3, 4), (2, 3, 1, 4)) - del x190 - x191 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x191 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x162, (2, 3, 4, 1), (0, 2, 3, 4)) - del x162 - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x191, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x191, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x191, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x191 - x192 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x192 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x35, (4, 0, 5, 2), (4, 5, 1, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x192, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x192, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x192, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x192 - x193 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x193 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x35, (4, 5, 0, 2), (4, 5, 1, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x193, (2, 0, 3, 4), (2, 3, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x193, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x193, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 - del x193 - x194 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x194 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x194, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x194, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x194, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x194 - x195 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x195 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x195, (2, 0, 3, 4), (2, 3, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x195, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x195, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 - del x195 - x196 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x196 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (4, 5, 0, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x196, (2, 0, 3, 4), (2, 3, 1, 4)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x196, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x196, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -4.0 - del x196 - x197 = np.zeros((nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x13, (2, 3, 4, 1), (0, 2, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x197, (4, 0, 5, 1), (4, 5, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x197, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 1, 4, 5, 6, 7), (2, 0, 4, 5, 6, 7)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x197, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 3, 4, 5, 6, 7), (0, 2, 4, 5, 6, 7)) * 2.0 - x198 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x198 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (4, 1, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x198, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x198, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x198, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) - del x198 - x199 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x199 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 2), (0, 4, 5, 3)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x199, (2, 0, 3, 4), (2, 3, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x199, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x199, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * 2.0 - del x199 - x200 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x200 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x176, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x200, (2, 0, 3, 4), (2, 3, 1, 4)) - del x200 - x201 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x201 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x201, (2, 0, 3, 4), (2, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x201, (4, 0, 5, 6), (5, 4, 1, 6, 2, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x201, (4, 0, 5, 6), (4, 5, 1, 2, 6, 3)) * -2.0 - del x201 - x202 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x202 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x202, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x202, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x202, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x202 - x203 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x203 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (0, 4, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x203, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x203, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x203, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x203 - x204 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x204 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (0, 4, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x204, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x204, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x204, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) - del x204 - x205 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x205 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x205, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x205, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x205, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -1.0 - del x205 - x206 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x206 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x206, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x206, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x206, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) - del x206 - x207 = np.zeros((nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x207 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x13, (1, 4, 5, 3), (0, 4, 5, 2)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x207, (2, 3, 0, 4), (2, 3, 4, 1)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x207, (4, 5, 0, 6), (5, 4, 1, 2, 6, 3)) * -4.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x207, (4, 5, 1, 6), (4, 5, 0, 6, 3, 2)) * -2.0 - del x207 - x208 = np.zeros((nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x208 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x197, (2, 3, 4, 0), (2, 3, 4, 1)) - t2new_abab[np.ix_(soa,sob,sva,svb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x208, (2, 0, 3, 4), (2, 3, 1, 4)) - del x208 - x209 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x209 += einsum(f.bb.oo, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x209, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x209, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x209 - x210 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x210 += einsum(f.bb.vv, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x210, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x210, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x210 - x211 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x211 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x211, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x211 - x212 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x212 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oooo, (4, 0, 5, 1), (4, 5, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x212, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x212, (0, 1, 2, 3), (1, 0, 3, 2)) - del x212 - x213 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x213 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 1, 5, 3), (0, 4, 2, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x213, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x213 - x214 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 2, 5, 3), (0, 1, 4, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x214, (0, 1, 2, 3), (1, 0, 3, 2)) - del x214 - x215 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x215 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 3, 5, 1, 6), (6, 4, 2, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (2, 1, 3, 0)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x215, (0, 1, 2, 3), (1, 2, 3, 0)) * -2.0 - del x215 - x216 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x216 += einsum(v.aabb.ovvV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 3), (5, 4, 6, 2)) - t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x216, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - del x216 - x217 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x217 += einsum(v.bbbb.ooOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 2, 5, 6, 3), (4, 0, 5, 6)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (1, 0, 3, 2)) * -6.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x217, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 - del x217 - x218 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x218 += einsum(v.bbbb.vOvV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 0, 3), (4, 5, 6, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 3, 2)) * 6.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x218, (0, 1, 2, 3), (0, 1, 2, 3)) * -6.0 - del x218 - x219 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x219 += einsum(x4, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 0, 3, 4), (1, 2, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x219, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x219, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x219 - x220 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x220 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (0, 2, 3, 4)) - x221 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x221 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x220, (0, 2, 3, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x221, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x221, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x221 - x222 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x222 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - x223 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x223 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x222, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x223, (0, 1, 2, 3), (1, 0, 3, 2)) - del x223 - x224 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x224 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooo, (2, 3, 4, 0), (2, 3, 4, 1)) - x225 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x225 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x224, (2, 0, 3, 4), (2, 3, 1, 4)) - del x224 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x225, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x225, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x225 - x226 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x226 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x16, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x226, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x226 - x227 = np.zeros((nocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x227 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x228 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x228 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x227, (2, 3, 1, 4), (0, 2, 3, 4)) - del x227 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x228, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x228, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x228 - x229 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x229 += einsum(x6, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x229, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x229, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x229 - x230 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x230 += einsum(x5, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x230, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x230, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x230 - x231 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x231 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x140, (0, 4, 2, 5), (4, 1, 3, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x231, (0, 1, 2, 3), (1, 0, 2, 3)) - del x231 - x232 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x232 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 4, 5, 3)) - x233 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x233 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x232, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x233, (0, 1, 2, 3), (1, 0, 3, 2)) - del x233 - x234 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x235 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x235 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x234, (4, 5, 0, 1), (4, 5, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x235, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x235 - x236 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x236 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - x237 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x237 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x236, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x237, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x237 - x238 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x238 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - x239 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x239 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x238, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x239, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x239 - x240 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x240 += einsum(x7, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x240, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x240, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x240 - x241 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x241 += einsum(x8, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x241, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x241, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x241 - x242 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x242 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x160, (4, 1, 5, 3), (4, 0, 2, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x242, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x242 - x243 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x243 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x161, (4, 1, 3, 5), (4, 0, 2, 5)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x243, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x243 - x244 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x244 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 2), (0, 1, 4, 5)) * -1.0 - x245 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x245 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x244, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x245, (0, 1, 2, 3), (0, 1, 3, 2)) - del x245 - x246 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x246 += einsum(x10, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x246, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x246, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x246 - x247 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x247 += einsum(x9, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 0), (2, 3, 4, 1)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x247, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x247, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x247 - x248 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x248 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (4, 2, 0, 3)) - x249 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x249 += einsum(x248, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 0, 5, 3, 6), (6, 2, 4, 5)) - del x248 - t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (1, 2, 3, 0)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,sVb)] += einsum(x249, (0, 1, 2, 3), (2, 1, 3, 0)) * -2.0 - del x249 - x250 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x250 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 3), (5, 4, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x251 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x250, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sOb,svb,svb)] += einsum(x251, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x251 - x252 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x252 += einsum(x171, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (0, 1, 3, 2)) * -3.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x252, (0, 1, 2, 3), (1, 0, 3, 2)) * 3.0 - del x252 - x253 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x253 += einsum(x172, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 0, 5, 6, 1), (2, 4, 5, 6)) - del x172 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (0, 1, 3, 2)) * 3.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x253, (0, 1, 2, 3), (1, 0, 3, 2)) * -3.0 - del x253 - x254 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x254 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 2, 6, 1, 3), (4, 5, 0, 6)) - x255 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x254, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 2, 3)) * 6.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x255, (0, 1, 2, 3), (0, 1, 3, 2)) * -6.0 - del x255 - x256 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x256 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x141, (0, 4, 2, 5), (4, 1, 5, 3)) - del x141 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x256, (0, 1, 2, 3), (1, 0, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x256, (0, 1, 2, 3), (1, 0, 2, 3)) * -1.0 - del x256 - x257 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x257 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x187, (0, 4, 2, 5), (4, 1, 5, 3)) - del x187 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x257, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x257, (0, 1, 2, 3), (1, 0, 2, 3)) - del x257 - x258 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x258 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x142, (0, 4, 2, 5), (1, 4, 3, 5)) - del x142 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x258, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - del x258 - x259 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x259 += einsum(x14, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x259, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x259, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x259 - x260 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x260 += einsum(x177, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x260, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x260 - x261 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x261 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x180, (4, 1, 5, 3), (4, 0, 5, 2)) - del x180 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 2, 3)) * 4.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x261, (0, 1, 2, 3), (0, 1, 3, 2)) * -4.0 - del x261 - x262 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x262 += einsum(x18, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (2, 0, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x262, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x262 - x263 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x263 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x182, (4, 1, 5, 3), (4, 0, 5, 2)) - del x182 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 2, 3)) * -4.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x263, (0, 1, 2, 3), (0, 1, 3, 2)) * 4.0 - del x263 - x264 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x264 += einsum(x183, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 4, 0)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x264, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x264 - x265 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x265 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 5, 3), (0, 1, 4, 5)) - x266 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x266 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x265, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x266, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x266 - x267 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x267 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x234, (2, 3, 4, 0), (2, 4, 3, 1)) - x268 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x268 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x267, (2, 0, 3, 4), (2, 3, 1, 4)) - del x267 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x268, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x268 - x269 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x269 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x161, (2, 3, 1, 4), (0, 2, 3, 4)) - x270 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x270 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x269, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x270, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x270 - x271 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x271 += einsum(x21, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x271, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x271, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x271 - x272 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x272 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - x273 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x273 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x272, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x273, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x273, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x273 - x274 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x274 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 5, 2), (4, 1, 5, 3)) - x275 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x275 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x274, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (0, 1, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (0, 1, 3, 2)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (1, 0, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x275, (0, 1, 2, 3), (1, 0, 3, 2)) * -1.0 - del x275 - x276 = np.zeros((nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x276 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x16, (2, 3, 4, 1), (2, 0, 4, 3)) - x277 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x277 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x276, (4, 5, 0, 1), (5, 4, 2, 3)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x277, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x277, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x277 - x278 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x278 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (4, 0, 5, 2)) - x279 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x279 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x278, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (1, 0, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x279, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x279 - x280 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x280 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (4, 0, 5, 2)) - x281 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x281 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x280, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (1, 0, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x281, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x281 - x282 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x282 += einsum(x22, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x282, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x282, (0, 1, 2, 3), (1, 0, 3, 2)) * -2.0 - del x282 - x283 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x283 += einsum(x23, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 1, 3, 4), (0, 2, 3, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x283, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x283, (0, 1, 2, 3), (1, 0, 3, 2)) * 2.0 - del x283 - x284 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x284 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x265, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - x285 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x285 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x284, (2, 3, 0, 4), (2, 3, 4, 1)) * -1.0 - del x284 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x285, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x285, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x285 - x286 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x286 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - x287 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x287 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x286, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x287, (0, 1, 2, 3), (0, 1, 2, 3)) * 2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x287, (0, 1, 2, 3), (0, 1, 3, 2)) * -2.0 - del x287 - x288 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x288 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - x289 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x289 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x288, (2, 3, 0, 4), (2, 3, 1, 4)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x289, (0, 1, 2, 3), (0, 1, 2, 3)) * -2.0 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x289, (0, 1, 2, 3), (0, 1, 3, 2)) * 2.0 - del x289 - x290 = np.zeros((nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x290 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x276, (2, 3, 0, 4), (3, 2, 4, 1)) - x291 = np.zeros((nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x291 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x290, (2, 3, 0, 4), (2, 3, 1, 4)) - del x290 - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 2, 3)) - t2new_bbbb[np.ix_(sob,sob,svb,svb)] += einsum(x291, (0, 1, 2, 3), (0, 1, 3, 2)) * -1.0 - del x291 - x292 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x292 += einsum(f.aa.oo, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x292, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x292, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x292 - x293 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x293 += einsum(f.aa.vv, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x293, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x293 - x294 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x294 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oovO, (4, 1, 5, 6), (6, 3, 0, 4, 2, 5)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x294, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x294, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x294, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x294, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x294 - x295 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x295 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x295, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x295, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x295 - x296 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x296 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x296, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x296, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x296 - x297 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x297 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oOoV, (1, 4, 5, 6), (4, 6, 0, 5, 2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x297, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x297, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x297 - x298 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x298 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oooV, (4, 0, 5, 6), (1, 6, 5, 4, 2, 3)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x298, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x298, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x298 - x299 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x299 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x299, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x299, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x299 - x300 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x300 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x300, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x300, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x300 - x301 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x301 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x301, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x301, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x301, (4, 5, 6, 0, 2, 7), (6, 1, 4, 7, 3, 5)) * 2.0 - x302 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x302 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oVvv, (4, 5, 6, 3), (1, 5, 0, 4, 2, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x302, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x302, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x302, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x302, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x302 - x303 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x303 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.vvvO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x303, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x303 - x304 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x304 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x304, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x304, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x304 - x305 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x305 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.vOvV, (4, 5, 3, 6), (5, 6, 0, 1, 2, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x305, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x305 - x306 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x306 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x306, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x306, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x306, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 2.0 - x307 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x307 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 1, 4, 0, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x307, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x307, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 - del x307 - x308 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x308 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 6, 0)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x308, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 - del x308 - x309 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x309 += einsum(v.aaaa.ooOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x309, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x309, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x309 - x310 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x310 += einsum(v.aaaa.oovv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x310, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x310, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x310 - x311 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x311 += einsum(v.aaaa.ooVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x311, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x311, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x311 - x312 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x312 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x312, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x312, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x312, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * 6.0 - x313 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x313 += einsum(v.aaaa.oVoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x313, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x313, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x313 - x314 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x314 += einsum(v.aaaa.vOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x314, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x314 - x315 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x315 += einsum(v.aaaa.vvOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x315, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x315 - x316 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x316 += einsum(v.aaaa.vvVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x316, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x316 - x317 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x317 += einsum(x26, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) - del x26 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x317, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x317, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x317 - x318 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x318 += einsum(f.aa.ov, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - x319 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x319 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x318, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) - del x318 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x319, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x319, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x319 - x320 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x320 += einsum(f.aa.oV, (0, 1), t1.aa[np.ix_(soa,sVa)], (0, 2), (1, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x320, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x320, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 - del x320 - x321 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x321 += einsum(f.aa.vO, (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 0), (1, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x321, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x321, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 - del x321 - x322 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x322 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x322, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) * -2.0 - x323 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x323 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x322, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) - del x322 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x323, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x323, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x323 - x324 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x324 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x56, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) - del x56 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x324, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x324 - x325 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x325 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x325, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x326 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x326 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x325, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x325 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x326, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x326, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x326, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x326, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x326 - x327 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x327 += einsum(f.aa.ov, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x327, (4, 0, 5, 6), (6, 5, 1, 2, 3, 4)) * 4.0 - del x327 - x328 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x328 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x328, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) - x329 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x329 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x328, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x328 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x329, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x329, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x329 - x330 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x330, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x331 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x331 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x330, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x330 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x331, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x331, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x331, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x331, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x331 - x332 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x332, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x333 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x333 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x332, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x332 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x333, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x333, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x333 - x334 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x334 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x90, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x90 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x334, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x334, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x334 - x335 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x335 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 2, 5, 6), (6, 3, 0, 1, 4, 5)) * -1.0 - x336 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x336 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x335, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x335 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x336, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x336 - x337 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x337 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - x338 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x338 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x337, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x337 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x338, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x338 - x339 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x339 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x339, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x340 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x340 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x339, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x339 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x340, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x340, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x340 - x341 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x341 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x341, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x342 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x342 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x341, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x341 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x342, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x342, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x342, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x342, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x342 - x343 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x343 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) - x344 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x344 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x343, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x343 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x344, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x344, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x344 - x345 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x345 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oOvv, (4, 5, 6, 2), (5, 3, 0, 1, 4, 6)) * -1.0 - x346 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x346 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x345, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x345 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x346, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x346, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x346 - x347 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x347 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) - x348 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x348 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x347, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x347 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x348, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x348, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x348 - x349 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x349 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x58, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x58 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x349, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x349, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x349, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x349, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x349 - x350 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x350 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x351 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x351 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x350, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) - del x350 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x351, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x351, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x351, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x351, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x351 - x352 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x352 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 - x353 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x353 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x352, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x352 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x353, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x353, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x353, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x353, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x353 - x354 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x354 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x355 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x355 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x354, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x354 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x355, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x355, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x355, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x355, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x355 - x356 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x356 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) - x357 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x357 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x356, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x356 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x357, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x357, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x357 - x358 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x358 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x35, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x358, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x358, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x358, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x358, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x358 - x359 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x359 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 - x360 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x360 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x359, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x359 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x360, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x360, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x360, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x360, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x360 - x361 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x361 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x362 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x362 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x361, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x362, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x362, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x362, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x362, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x362 - x363 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x363 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x363, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) * -1.0 - x364 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x364 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x363, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) - del x363 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x364, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x364, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x364 - x365 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x365 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x365, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x366 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x366 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x365, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x365 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x366, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x366, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x366 - x367 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x367 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x367, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x368 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x368 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x367, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x367 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x368, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x368, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x368 - x369 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x369 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x369, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - x370 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x370 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x369, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x369 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x370, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x370, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x370 - x371 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x371 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - x372 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x372 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x371, (4, 5, 0, 6), (1, 4, 6, 5, 2, 3)) * -1.0 - del x371 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x372, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x372, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x372 - x373 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x373 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x373, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) - x374 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x374 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x373, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x373 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x374, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x374, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x374, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x374, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x374 - x375 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x375 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x376 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x376 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x376, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x376, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x376, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x376, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x376 - x377 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x377 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x377, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) - x378 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x378 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x377, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 - del x377 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x378, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x378, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x378, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x378, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x378 - x379 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x379 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x379, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x380 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x380 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x379, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) * -1.0 - del x379 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x380, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x380, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x380, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x380, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x380 - x381 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x381 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x382 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x382 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x381, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) - del x381 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x382, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x382, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x382, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x382, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x382 - x383 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x383 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x383, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x384 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x384 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x383, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x383 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x384, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x384, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x384 - x385 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x385 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x385, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x386 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x386 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x385, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x385 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x386, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x386, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x386, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x386, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x386 - x387 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x387 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x387, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x388 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x388 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x387, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x387 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x388, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x388, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x388 - x389 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x389 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x389, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x390 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x390 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x390, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x390, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x390, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x390, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x390 - x391 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x391 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x391, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 - x392 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x392 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x391, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x391 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x392, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x392, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x392 - x393 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x393 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x393, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x394 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x394 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x393, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x393 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x394, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x394, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x394 - x395 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x395 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x396 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x396 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x395, (4, 5, 2, 6), (4, 3, 0, 1, 6, 5)) * -1.0 - del x395 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x396, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x396 - x397 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x397 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - x398 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x398 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x397, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x397 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x398, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x398, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x398, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x398, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x398 - x399 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x399 += einsum(v.aabb.oOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 1, 7, 4, 0, 6)) - x400 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x400 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x399, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x399 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x400, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x400, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 - del x400 - x401 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x401 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x402 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x402 += einsum(x401, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 4, 1, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x402, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x402, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 - del x402 - x403 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x403 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOov, (0, 2, 3, 4), (2, 1, 3, 4)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(x403, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x404 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x404 += einsum(x67, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) - del x67 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x404, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x404, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x404, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x404 - x405 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x405 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (2, 0, 3, 4)) - x406 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x406 += einsum(x405, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x406, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x406, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 - del x406 - x407 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x407 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvov, (2, 1, 3, 4), (0, 3, 2, 4)) - x408 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x408 += einsum(x407, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 6, 2)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x408, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 - del x408 - x409 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x409 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVov, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(x409, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x410 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x410 += einsum(x69, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (3, 2, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x410, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x410, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x410 - x411 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x411 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - x412 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x412 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x411, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x411 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x412, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x412, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x412, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x412, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x412 - x413 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x413 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - x414 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x414 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x413 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x414, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x414, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x414, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x414, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x414 - x415 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x415 += einsum(x27, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) - del x27 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x415, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x415, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x415 - x416 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x416 += einsum(x28, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) - del x28 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x416, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x416, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x416 - x417 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) - x417 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x417, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x418 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x418 += einsum(x417, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x417 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x418, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x418, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x418 - x419 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x419 += einsum(x77, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) - del x77 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x419, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x419, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - del x419 - x420 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x420 += einsum(x45, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) - del x45 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x420, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - del x420 - x421 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x421 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x421, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x422 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x422 += einsum(x421, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x421 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x422, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x422, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x422 - x423 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x423 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x423, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 - x424 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x424 += einsum(x423, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) - del x423 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x424, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x424, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x424 - x425 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x425 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) - x426 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x426 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x425, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x425 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x426, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x426 - x427 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x427 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) - x428 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x428 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x427, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x427 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x428, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x428 - x429 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x429 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovOO, (0, 1, 2, 3), (2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x429, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x429, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x429 - x430 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x430 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oOvO, (0, 2, 1, 3), (2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x430, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x430, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - del x430 - x431 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x431 += einsum(v.aaaa.ovvv, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 0, 2)) - x432 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x432 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x431, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x431 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x432, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x432 - x433 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x433 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) - x434 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x434 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x433, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x433 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x434, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x434 - x435 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x435 += einsum(x30, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) - del x30 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x435, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x435 - x436 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x436 += einsum(x29, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) - del x29 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x436, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x436 - x437 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x437 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovVV, (0, 1, 2, 3), (2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x437, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x437, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - del x437 - x438 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x438 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.oVvV, (0, 2, 1, 3), (2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x438, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x438, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 - del x438 - x439 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x439 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x439, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 - x440 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x440 += einsum(x439, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) - del x439 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x440, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x440, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x440 - x441 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x441 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x441, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x442 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x442 += einsum(x441, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) - del x441 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x442, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x442, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x442 - x443 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x443 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x443, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x443, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - del x443 - x444 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x444 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x444, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x444, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 - del x444 - x445 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x445 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x445, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x446 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x446 += einsum(x445, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) - del x445 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x446, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x446 - x447 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) - x447 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x447, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x448 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x448 += einsum(x447, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) - del x447 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x448, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x448, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x448 - x449 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) - x449 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x449, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 - x450 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x450 += einsum(x449, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) - del x449 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x450, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x450 - x451 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) - x451 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x451, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 - x452 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x452 += einsum(x451, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) - del x451 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x452, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x452 - x453 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x453 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x453, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x453, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - del x453 - x454 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x454 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x454, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x454, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 - del x454 - x455 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x455 += einsum(x31, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) - del x31 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x455, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x455, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x455 - x456 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x456 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 0, 1), (2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x456, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x456, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x456 - x457 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x457 += einsum(x32, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) - del x32 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x457, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x457 - x458 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x458 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 0, 1), (2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x458, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x458, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - del x458 - x459 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x459 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 0, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x459, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x460 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x460 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x459, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x459 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x460, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x460, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x460, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x460, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x460 - x461 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x461 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x65, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x65 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x461, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x461, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x461 - x462 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x462 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 6), (1, 3, 0, 5, 4, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x462, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x462, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 - x463 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x463 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x462, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x463, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x463, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x463, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x463, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x463 - x464 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x464 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (5, 0, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x464, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) - x465 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x465 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x464, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x464 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x465, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x465, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x465, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x465, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x465 - x466 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x466 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 2, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x466, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x467 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x467 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x466, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x466 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x467, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x467, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x467 - x468 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x468 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (2, 0, 4, 5)) - x469 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x469 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x468, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x468 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x469, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x469, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x469 - x470 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x470 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (2, 0, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x470, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x471 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x471 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x470, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x470 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x471, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x471, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x471, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x471, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x471 - x472 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x472 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x472, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x473 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x473 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x472, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x472 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x473, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x473, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x473, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x473, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x473 - x474 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x474 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (0, 2, 4, 5)) - x475 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x475 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x474, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x474 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x475, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x475 - x476 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x476 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (0, 5, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x476, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -1.0 - x477 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x477 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x476 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x477, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x477, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x477 - x478 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x478 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 3), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x478, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x479 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x479 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x478, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x478 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x479, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x479, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x479 - x480 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x480 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 3), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x480, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x481 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x481 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x480, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x480 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x481, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x481, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x481 - x482 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x482 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x482, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x483 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x482, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x482 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x483, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x483, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x483 - x484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x484 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x484, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x485 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x484, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x484 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x485, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x485, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x485 - x486 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x486 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x486, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x487 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x487 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x486, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x486 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x487, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x487, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x487, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x487, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x487 - x488 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x488 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x488, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x489 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x489 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x488, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x488 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x489, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x489, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x489 - x490 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x490 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) * -1.0 - x491 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x491 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x490, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x491, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x491 - x492 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x492 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) - x493 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x493 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x492, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x492 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x493, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x493, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x493 - x494 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x494 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x73, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x73 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x494, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x494, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x494, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x494, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x494 - x495 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x495 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x495, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x496 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x495, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x495 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x496, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x496, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x496 - x497 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x497 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x71, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x71 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x497, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x497, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x497, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x497, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x497 - x498 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x498 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x498, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x499 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x498, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x498 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x499, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x499, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x499 - x500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x500 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x501 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x501 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x500, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x501, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x501, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x501 - x502 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x502 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x502, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x503 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x503 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x502, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x502 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x503, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x503, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x503, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x503, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x503 - x504 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x504 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x505 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x504, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x504 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x505, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x505, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x505 - x506 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x506 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x506, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x507 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x507 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x506, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x506 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x507, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x507, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x507, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x507, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x507 - x508 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x508 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x509 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x509 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x508, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x508 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x509, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x509, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x509 - x510 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x510 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ooov, (4, 1, 0, 5), (3, 4, 2, 5)) - x511 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x511 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x510, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x511, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x511 - x512 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x512 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x512, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 2.0 - x513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x513 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x512, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x512 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x513, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x513, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x513, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x513 - x514 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x514 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 - x515 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x515 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x514, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x515, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x515, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x515, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x515 - x516 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x516 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x516, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x517 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x517 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x516, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x516 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x517, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x517, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x517, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x517, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x517 - x518 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x518 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x518, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - x519 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x519 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x518, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x518 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x519, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x519, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x519 - x520 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x520 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) - x521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x521 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x520, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x520 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x521, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x521, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x521 - x522 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x522 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x522, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - x523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x523 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x522, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x522 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x523, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x523, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x523 - x524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x524 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x301, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x524, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x524, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x524, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x524, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x524 - x525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x525 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x525, (4, 5, 6, 0, 2, 7), (6, 1, 4, 7, 3, 5)) * -2.0 - x526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x526 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x525, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x526, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x526, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x526, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x526, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x526 - x527 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x527 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x527, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -2.0 - x528 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x528 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x527, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x527 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x528, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x528, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x528 - x529 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x529 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x80, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x80 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x529, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x529 - x530 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x530 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x530, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - x531 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x531 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x530, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x530 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x531, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x531, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x531 - x532 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x532 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x533 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x533 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x532, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x533, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x533 - x534 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x534 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x534, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x535 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x535 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x534, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x534 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x535, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x535, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x535, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x535, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x535 - x536 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x536 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x536, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) * 2.0 - x537 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x537 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x536, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 - del x536 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x537, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x537, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x537, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x537, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x537 - x538 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x538 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - x539 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x539 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x538, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 - del x538 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x539, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x539, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x539 - x540 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x540 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 - x541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x541 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x540, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x540 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x541, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x541 - x542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x542 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x542, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 4.0 - x543 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x543 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x542, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x542 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x543, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x543, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x543, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x543 - x544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x544 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -4.0 - x545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x545 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x544, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x544 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x545, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x545, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x545, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x545 - x546 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x546 += einsum(x34, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x34 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x546, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x546, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x546 - x547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x547 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x547, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 12.0 - x548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x548 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x547, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x547 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x548, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x548, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x548, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x548 - x549 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x549 += einsum(x105, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - del x105 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x549, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x549 - x550 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) - x551 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x551 += einsum(x550, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x551, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x551, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 - del x551 - x552 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x552 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (2, 0, 4, 5)) - x553 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x553 += einsum(x552, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x553, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x553, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 - del x553 - x554 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x554 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 1, 3), (2, 5, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x554, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x555 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x555 += einsum(x554, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x554 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x555, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x555, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x555 - x556 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x556 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 3), (2, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x556, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x556, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - del x556 - x557 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x557 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - x558 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x558 += einsum(x557, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x558, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 - del x558 - x559 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x559 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 4, 2, 5)) - x560 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x560 += einsum(x559, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x560, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 - del x560 - x561 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x561 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 3), (0, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x561, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x561, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x561 - x562 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) - x562 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 1, 3), (0, 5, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x562, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 2.0 - x563 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x563 += einsum(x562, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x562 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x563, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x563 - x564 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(x564, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x565 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x565 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 1, 5), (0, 2, 4, 5)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(x565, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x566 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x566 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (0, 4, 2, 5)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x566, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x566, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - del x566 - x567 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x567 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x567, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - x568 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x568 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x567, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x567 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x568, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x568 - x569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x569 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x569, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x570 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x569, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x569 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x570, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x570 - x571 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x571 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x306, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x306 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x571, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x571, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x571, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x571 - x572 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x572 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x88, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x572, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x572, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x572, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x572, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x572 - x573 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x573 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 - x574 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x574 += einsum(x573, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x574, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x574, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 - del x574 - x575 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x575 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 1, 5, 3, 6), (6, 4, 5, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x575, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x576 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x576 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x575, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x575 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x576, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x576, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x576, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x576, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x576 - x577 = np.zeros((naocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x577 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovov, (0, 3, 4, 5), (1, 4, 2, 5)) * -1.0 - x578 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x578 += einsum(x577, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x578, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 - del x578 - x579 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x579 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 6), (1, 4, 3, 0, 5, 6)) - x580 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x580 += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x579, (6, 2, 7, 8, 1, 4), (6, 7, 5, 8, 0, 3)) - del x579 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x580, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x580, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 - del x580 - x581 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x581 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x88, (4, 5, 0, 6), (1, 4, 3, 5, 2, 6)) - del x88 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x581, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x581, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 - del x581 - x582 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x582 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(x582, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 - x583 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x583 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 2, 4, 5, 1, 6), (4, 6, 5, 3)) * -1.0 - x584 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x584 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x583, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x584, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x584 - x585 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x585 += einsum(x113, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x585, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - del x585 - x586 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x586 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 3, 1, 6), (5, 6, 4, 0)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x586, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -6.0 - x587 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x587 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x586, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x586 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x587, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x587, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x587 - x588 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x588 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x312, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x312 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x588, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x588, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 - del x588 - x589 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x589 += einsum(x37, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x589, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x589, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x589 - x590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x590 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x590, (4, 5, 6, 0, 7, 2), (6, 1, 4, 7, 3, 5)) * -6.0 - x591 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x591 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x590, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x590 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x591, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x591, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x591, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x591 - x592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x592 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x592, (4, 5, 6, 7, 0, 1), (6, 7, 4, 2, 3, 5)) * 6.0 - x593 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x593 += einsum(x111, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x593, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x593 - x594 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x594 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x594, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 - del x594 - x595 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x595 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x595, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 - del x595 - x596 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x596 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x596, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 6.0 - x597 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x597 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x596, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x596 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x597, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x597, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x597, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x597, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x597 - x598 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x598 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x598, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 - x599 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x599 += einsum(x598, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x598 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x599, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x599, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x599 - x600 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x600 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x600, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 - x601 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x601 += einsum(x600, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x600 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x601, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x601, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 - del x601 - x602 = np.zeros((navir[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x602 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x602, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x603 += einsum(x602, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x602 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x603, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x603 - x604 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x604 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x604, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x604, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - del x604 - x605 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x605 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x605, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x605, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - del x605 - x606 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x606 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x606, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 3.0 - x607 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x607 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x606, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x606 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x607, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x607, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x607, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x607 - x608 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) - x608 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 - x609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x609 += einsum(x608, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x609, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - del x609 - x610 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x610 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x610, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -3.0 - x611 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x611 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x610, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x610 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x611, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x611, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x611, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x611 - x612 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x612 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x612, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -12.0 - del x612 - x613 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) - x613 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 - x614 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x614 += einsum(x613, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x613 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x614, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - del x614 - x615 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x615 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 3, 2, 4), (1, 4)) * -1.0 - x616 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x616 += einsum(x615, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x616, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x616 - x617 = np.zeros((naocc[0], naocc[0], nvir[0], nvir[0]), dtype=np.float64) - x617 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x617, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 - x618 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x618 += einsum(x617, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x617 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x618, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - del x618 - x619 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x619 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 - x620 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x620 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 1, 2, 3, 4, 5), x619, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) - del x619 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x620, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x620, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x620 - x621 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x621 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 - x622 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x622 += einsum(t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (0, 1, 2, 3, 4, 5), x621, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) - del x621 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x622, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x622, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x622 - x623 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x623 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x94, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x94 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x623, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x623, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - del x623 - x624 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x624 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x624, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x624, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 - del x624 - x625 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x625 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x625, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x625, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 - del x625 - x626 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x626 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) - x627 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x627 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x626, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x627, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x628 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x628 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x627, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x627 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x628, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x628, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x628 - x629 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x629 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x626, (2, 3, 0, 4), (2, 3, 4, 1)) - del x626 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x629, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x630 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x630 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x629, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x629 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x630, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x630, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x630 - x631 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x631 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - x632 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x632 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x631, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x631 - x633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x633 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x632, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x632 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x633 - x634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x634 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x69, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) - x635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x635 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x634, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x634 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x635, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x635, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x635 - x636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x636 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x69, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) - del x69 - x637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x637 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x636, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x636 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x637, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x637, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x637 - x638 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x638 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x500, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x500 - x639 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x639 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x638, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x638 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x639, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x639, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x639, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x639, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x639 - x640 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x640 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x641 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x641 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x640, (2, 3, 4, 1), (2, 0, 3, 4)) - x642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x642 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x641, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x641 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x642, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x642 - x643 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x117, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x117 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x643, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x643, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x643 - x644 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x640, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x645 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x645 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x644, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x644 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x645, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x645, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x645, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x645, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x645 - x646 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x646 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) - x647 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x647 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x646, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x648 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x648 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x647, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x647 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x648, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x648, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x648 - x649 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x649 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x301, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) - del x301 - x650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x650 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x649, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x649 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x650, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x650, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x650, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x650, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x650 - x651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x651 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x525, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x525 - x652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x652 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x651, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x651 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x652, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x652, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x652 - x653 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x653 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) - x654 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x654 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x653, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x654, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x655 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x655 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x654, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x654 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x655, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x655, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x655 - x656 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x656 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - x657 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x657 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x656, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x657, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x658 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x658 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x657, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x657 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x658, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x658, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x658 - x659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x659 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x656, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x660 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x659, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x659 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x660, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x660, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x660 - x661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x661 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x653, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x662 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x661, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x661 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x662, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x662, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x662 - x663 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x663 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x664 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x664 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x663, (2, 3, 4, 1), (2, 0, 3, 4)) - x665 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x665 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x664, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x664 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x665, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x665, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x665 - x666 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x666 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x667 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x667 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x666, (2, 3, 4, 1), (2, 0, 4, 3)) - x668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x668 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x667, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 - del x667 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x668, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x668, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x668 - x669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x669 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x666, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 - x670 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x670 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x669, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x669 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x670, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x670, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x670 - x671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x671 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x663, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x672 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x672 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x671, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x671 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x672, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x672, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x672, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x672, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x672 - x673 = np.zeros((navir[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x673 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x674 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x674 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x673, (2, 1, 3, 4), (2, 0, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x674, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) - x675 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x675 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x674, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 - del x674 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x675, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x675, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x675 - x676 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x676 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x673, (2, 3, 4, 1), (2, 0, 3, 4)) - del x673 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x676, (4, 5, 2, 6), (5, 1, 0, 6, 3, 4)) * -1.0 - x677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x677 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x676, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 - del x676 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x677, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x677, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x677, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x677, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x677 - x678 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x678 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x679 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x679 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x678, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x679, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x680 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x680 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x679, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x679 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x680, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x680, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x680, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x680, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x680 - x681 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x681 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x678, (2, 3, 4, 0), (2, 4, 3, 1)) - del x678 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x681, (4, 0, 5, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x682 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x682 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x681, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x681 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x682, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x682, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x682, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x682, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x682 - x683 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x683 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x684 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x683, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x684, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x685 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x684, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x684 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x685, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x685, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x685 - x686 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x686 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) - x687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x687 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x686, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x687, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x688 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x687, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x687 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x688, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x688, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x688 - x689 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x689 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x690 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x690 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x689, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x690, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x691 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x691 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x690, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x690 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x691, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x691, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x691 - x692 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x692 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x693 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x693 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x692, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x693, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x694 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x694 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x693, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x693 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x694, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x694, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x694, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x694, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x694 - x695 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x695 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x686, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x696 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x695, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x695 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x696, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x696, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x696 - x697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x697 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x683, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x698 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x697, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x697 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x698, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x698 - x699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x699 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x692, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x692 - x700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x700 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x699, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x699 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x700, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x700, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x700 - x701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x701 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x689, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 - del x689 - x702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x702 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x701, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x701 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x702, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x702, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x702 - x703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x703 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x703, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x704 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x703, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x703 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x704, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x704, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x704 - x705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x705 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x705, (4, 5, 0, 6), (6, 1, 4, 2, 3, 5)) - x706 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x706 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x705, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) - del x705 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x706, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x706, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x706 - x707 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x707, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) * -1.0 - x708 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x708 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x707, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x707 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x708, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x708, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x708 - x709 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x709, (4, 5, 2, 6), (0, 1, 4, 6, 3, 5)) - x710 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x710 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x709, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x709 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x710, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x710 - x711 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x711 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - x712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x712 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x711, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x711 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x712, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x712, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x712, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x712, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x712 - x713 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x713 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovov, (0, 2, 3, 4), (1, 3, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x713, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - x714 = np.zeros((navir[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x714 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x713, (2, 3, 1, 4), (2, 0, 3, 4)) - x715 = np.zeros((naocc[0], navir[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x715 += einsum(x714, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 0, 7, 1, 4, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x715, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sVa,sVfa)] += einsum(x715, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 - del x715 - x716 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x716 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovov, (2, 1, 3, 4), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x716, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - x717 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x717 += einsum(x716, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (0, 5, 7, 4, 1, 6)) - x718 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x718 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x717, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x717 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x718, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sva,sVfa)] += einsum(x718, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 - del x718 - x719 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x719 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovov, (0, 3, 4, 5), (2, 1, 4, 5)) - t3new_aaaaaa[np.ix_(soa,sOa,sOfa,sva,sVa,sVfa)] += einsum(x719, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x720 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x720 += einsum(x121, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x720, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - del x720 - x721 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x721 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - x722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x722 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x721, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x721 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x722, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x722, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x722, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x722 - x723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x723 += einsum(x35, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - x724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x724 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x723, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x723 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x724, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x724, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x724, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x724 - x725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x725 += einsum(x39, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x39 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x725, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x725, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x725 - x726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x726 += einsum(x40, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x40 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x726, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x726, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x726 - x727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x727 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x592, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x592 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 - del x727 - x728 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x728 += einsum(x11, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x729 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x729 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x728, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x728 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x729, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x729 - x730 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x730 += einsum(x12, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x731 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x731 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x730, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x730 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x731, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x731, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x731 - x732 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x732 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x733 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x733 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x732, (2, 3, 4, 1), (2, 3, 0, 4)) - del x732 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x733, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x734 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x734 += einsum(x733, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x733 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x734, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x734, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x734 - x735 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x735 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x736 = np.zeros((navir[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x735, (2, 3, 4, 1), (2, 3, 0, 4)) - del x735 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x736, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x737 += einsum(x736, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x736 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x737, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x737, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x737 - x738 = np.zeros((navir[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x738 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aaaa.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x739 += einsum(x738, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - x740 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x740 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x739, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x739 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x740, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x740, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x740 - x741 = np.zeros((navir[0], nocc[0]), dtype=np.float64) - x741 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (0, 1, 2, 3), (3, 2)) - x742 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x742 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x741, (2, 0), (1, 2)) - del x741 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x742, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x742, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - del x742 - x743 = np.zeros((navir[0], nocc[0]), dtype=np.float64) - x743 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovoV, (2, 1, 0, 3), (3, 2)) - x744 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x744 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x743, (2, 0), (1, 2)) - del x743 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x744, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x744, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - del x744 - x745 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=np.float64) - x745 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x746 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) - x746 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x745, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x746, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) - x747 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x747 += einsum(x746, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x746 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x747, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x747, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - del x747 - x748 = np.zeros((naocc[0], naocc[0], nocc[0], nvir[0]), dtype=np.float64) - x748 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) - x749 = np.zeros((naocc[0], naocc[0], nocc[0], nocc[0]), dtype=np.float64) - x749 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x748, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x749, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 - x750 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x750 += einsum(x749, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x749 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x750, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x750, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 - del x750 - x751 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x751 += einsum(x748, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - x752 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x751, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x751 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x752, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x752 - x753 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x753 += einsum(x745, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - x754 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x754 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x753, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x753 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x754, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x754, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x754 - x755 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) - x755 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 1, 2, 3), (3, 2)) - x756 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x756 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x755, (2, 1), (0, 2)) - del x755 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x756, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x756, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x756 - x757 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) - x757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aaaa.ovvO, (0, 2, 1, 3), (3, 2)) - x758 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x758 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x757, (2, 1), (0, 2)) - del x757 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x758, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x758, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - del x758 - x759 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=np.float64) - x759 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x760 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x760 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x759, (2, 3, 4, 0), (2, 3, 1, 4)) - del x759 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x760, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x760, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - del x760 - x761 = np.zeros((naocc[0], naocc[0], navir[0], nocc[0]), dtype=np.float64) - x761 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aaaa.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) - x762 = np.zeros((naocc[0], naocc[0], navir[0], navir[0]), dtype=np.float64) - x762 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x761, (2, 3, 4, 0), (2, 3, 1, 4)) - del x761 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x762, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x762, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - del x762 - x763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x763 += einsum(x41, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x41 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x763, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x763, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x763 - x764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x764 += einsum(x15, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x765 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x765 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x764, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x764 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x765, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x765, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x765 - x766 = np.zeros((navir[0], nocc[0]), dtype=np.float64) - x766 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oVov, (2, 3, 0, 1), (3, 2)) - x767 = np.zeros((navir[0], navir[0]), dtype=np.float64) - x767 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x766, (2, 0), (1, 2)) - del x766 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x767, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x767, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - del x767 - x768 = np.zeros((naocc[0], nvir[0]), dtype=np.float64) - x768 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 0, 1), (3, 2)) - x769 = np.zeros((naocc[0], naocc[0]), dtype=np.float64) - x769 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), x768, (2, 1), (0, 2)) - del x768 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x769, (0, 1), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x769, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - del x769 - x770 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x770 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x119, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x119 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x770, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x770, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x770, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x770, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x770 - x771 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x771 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x771, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - x772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x772 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x773 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x772, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x772 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x773, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x773, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x773, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x773, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x773 - x774 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x774 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (4, 0, 2, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x774, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -1.0 - x775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x775 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x774, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x774 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x775, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x775, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x775, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x775, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x775 - x776 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x776 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 0, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x776, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x777 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x777 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x776, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x776 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x777, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x777, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x777, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x777, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x777 - x778 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x778 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (2, 0, 4, 5)) - x779 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x779 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x778, (2, 3, 4, 1), (2, 0, 3, 4)) - x780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x780 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x779, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x779 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x780, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x780, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x780 - x781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x781 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x778, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x782 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x781, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x781 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x782, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x782, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x782, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x782, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x782 - x783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x783 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 2, 0, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x783, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x784 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x784 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x783, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x783 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x784, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x784, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x784 - x785 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x785 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x33, (4, 5, 1, 3), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x785, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x786 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x786 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x785, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x785 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x786, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x786, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x786, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x786, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x786 - x787 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x787 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 4, 2, 5)) - x788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x788 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x787, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x787 - x789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x789 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x788, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x788 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x789, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x789, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x789 - x790 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x790 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (0, 4, 2, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x790, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) - x791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x791 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x790, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x790 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x791, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x791, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x791 - x792 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x792 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 3), (0, 2, 4, 5)) - x793 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x793 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x792, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x793, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x794 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x794 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x793, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x793 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x794, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x794, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x794 - x795 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x795 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x792, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x796 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x796 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x795, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x795 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x796, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x796, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x796 - x797 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x797 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x125, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x125 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x797, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x797, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x797, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x797, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x797 - x798 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x798 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - x799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x799 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x798, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x799, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x800 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x800 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x799, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x799 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x800, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x800, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x800 - x801 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x801 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x123, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x123 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x801, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x801, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x801, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x801, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x801 - x802 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x802 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - x803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x803 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x802, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x803, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x804 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x804 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x803, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x803 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x804, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x804, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x804 - x805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x805 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x361, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - x806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x806 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x805, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x806, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x806, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x806, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x806, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x806 - x807 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x807 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x35, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x807, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x808 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x807, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x807 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x808, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x808, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x808, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x808, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x808 - x809 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x809 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - x810 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x810 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x809, (2, 3, 4, 1), (2, 0, 3, 4)) - x811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x811 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x810, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x810 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x811, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x811, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x811 - x812 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x812 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x35, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x812, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x813 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x813 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x812, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x812 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x813, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x813, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x813, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x813, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x813 - x814 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x814 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x815 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x815 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x814, (2, 3, 4, 1), (2, 0, 3, 4)) - x816 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x816 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x815, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x815 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x816, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x816, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x816 - x817 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x817 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x35, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - x818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x818 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x817, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x818, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x818 - x819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x819 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x361, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x820 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x819, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x819 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x820, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x820, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x820, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x820, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x820 - x821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x821 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x361, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) - x822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x822 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x821, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x821 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x822, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x822, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x822, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x822, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x822 - x823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x823 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x798, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x824 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x824 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x823, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x823 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x824, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x824, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x824 - x825 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x825 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x113, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 - del x113 - x826 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x826 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x825, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x825 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x826 - x827 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x827 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x802, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x828 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x828 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x827, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x827 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x828 - x829 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x829 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x830 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x830 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x829, (2, 3, 4, 0), (2, 3, 4, 1)) - del x829 - x831 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x831 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x830, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x831 - x832 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x832 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x809, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x833 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x833 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x832, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x832 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x833 - x834 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x834 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x814, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - x835 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x835 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x834, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x834 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x835, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x835, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x835 - x836 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x836 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) * -1.0 - x837 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x837 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x836, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x836 - x838 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x838 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x837, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x837 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x838, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x838, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x838 - x839 = np.zeros((naocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x839 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aaaa.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) * -1.0 - x840 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x840 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x839, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x839 - x841 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x841 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x840, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x840 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x841 - x842 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x842 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x842, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x843 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x843 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x842, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x842 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x843 - x844 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x844 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x844, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x845 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x845 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x844, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x844 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x845, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x845 - x846 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x846 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x131, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x131 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x846 - x847 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x847 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x133, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x133 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x847 - x848 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x848 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x848, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x849 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x849 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x848, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x848 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x849, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x849, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x849 - x850 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x850 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x850, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x851 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x851 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x850, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x850 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x851, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x851, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x851 - x852 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x852 += einsum(x11, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x852, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 - del x852 - x853 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x853 += einsum(x12, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x853, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -4.0 - del x853 - x854 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x854 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 5, 3), (4, 0, 2, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x854, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * 2.0 - x855 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x855 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x854, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x854 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x855 - x856 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x856 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 3, 2), (1, 4, 0, 5)) - x857 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x857 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x856, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x857 - x858 = np.zeros((navir[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x858 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 1, 3, 5), (4, 0, 2, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x858, (4, 5, 6, 2), (5, 1, 0, 6, 3, 4)) * -2.0 - x859 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x859 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x858, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x858 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x859, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x859, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x859 - x860 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x860 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x860, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * 2.0 - x861 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x861 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x860, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x860 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x861 - x862 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x862 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x375, (4, 5, 2, 3), (4, 0, 1, 5)) - x863 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x863 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x862, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) - del x862 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x863 - x864 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x864 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x375, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x864, (4, 5, 6, 2), (0, 1, 4, 6, 3, 5)) * -2.0 - x865 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x865 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x864, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x864 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x865 - x866 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x866 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 5, 1, 3), (4, 0, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x866, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x867 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x867 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x866, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x866 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x867, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x867, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x867 - x868 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x868 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x868, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * 2.0 - x869 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x869 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x868, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x868 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x869, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x869, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x869 - x870 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x870 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x870, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -2.0 - x871 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x871 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x870, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x870 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x871, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x871, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x871, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x871, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x871 - x872 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x872 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x872, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x873 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x873 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x872, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x872 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x873, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x873, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x873 - x874 = np.zeros((naocc[0], navir[0], nvir[0], nvir[0]), dtype=np.float64) - x874 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 - x875 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x875 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x874, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x875, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x875 - x876 = np.zeros((naocc[0], nvir[0], nvir[0], nvir[0]), dtype=np.float64) - x876 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x389, (4, 1, 0, 5), (4, 2, 3, 5)) * -1.0 - x877 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x877 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x876, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 - del x876 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x877, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x877, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x877 - x878 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x878 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x878, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -2.0 - x879 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x879 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x878, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x878 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x879 - x880 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x880 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x136, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x136 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x880, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x880, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x880 - x881 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x881 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,sOa,sva,sva)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x881, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * 2.0 - x882 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x882 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x881, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x881 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x882 - x883 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x883 += einsum(x15, (0, 1), t2.aaaa[np.ix_(soa,soa,sva,sVa)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x883, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 - del x883 - x884 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x884 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x121, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) - del x121 - x885 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x885 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x884, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x884 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x885, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x885, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x885 - x886 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x886 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x805, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x805 - x887 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x887 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x886, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x886 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x887, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x887, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x887, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x887, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x887 - x888 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x888 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x375, (2, 3, 1, 4), (2, 0, 3, 4)) - x889 = np.zeros((navir[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x889 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x888, (2, 3, 4, 1), (2, 3, 0, 4)) - x890 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x890 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x889, (4, 5, 6, 0), (1, 4, 6, 5, 2, 3)) * -1.0 - del x889 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x890 - x891 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x891 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x888, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x892 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x892 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x891, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x891 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x892 - x893 = np.zeros((navir[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x893 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x375, (2, 3, 4, 1), (2, 0, 3, 4)) - x894 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x894 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x893, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - x895 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x895 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x894, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x894 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x895 - x896 = np.zeros((naocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x896 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x389, (2, 3, 4, 1), (2, 0, 4, 3)) - x897 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x897 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x896, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x897, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) - x898 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x898 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x897, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x897 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x898 - x899 = np.zeros((naocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x899 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x896, (2, 3, 0, 4), (2, 3, 4, 1)) - del x896 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x899, (4, 5, 0, 6), (5, 1, 4, 6, 3, 2)) * -1.0 - x900 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x900 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x899, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x899 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x900, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x900, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x900 - x901 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nocc[0]), dtype=np.float64) - x901 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x389, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 - x902 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x902 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x901, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x901 - x903 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x903 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x902, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x902 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x903 - x904 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x904 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) - x905 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x905 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x904, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x905, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) * -1.0 - x906 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x906 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x905, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x905 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x906, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x906, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x906 - x907 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0]), dtype=np.float64) - x907 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aaaa.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - x908 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0]), dtype=np.float64) - x908 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x907, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x908, (4, 5, 6, 0), (6, 1, 4, 2, 3, 5)) - x909 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x909 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x908, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x908 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x909, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x909, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x909 - x910 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x910 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x904, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x911 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x911 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x910, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x910 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x911, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x911, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x911 - x912 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x912 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x907, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - x913 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x913 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x912, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x912 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)] += einsum(x913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x913 - x914 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x914 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 6), (1, 3, 0, 5, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x914, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x914, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 - x915 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x915 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 5, 6, 2), (1, 3, 4, 0, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x915, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 - x916 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x916 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x916, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x916, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 4.0 - del x916 - x917 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x917 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x917, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 4.0 - x918 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x918 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x918, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * 12.0 - x919 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x919 += einsum(f.aa.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 3, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x919, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x919 - x920 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x920 += einsum(f.bb.ov, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x920, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x920 - x921 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x921 += einsum(f.bb.oV, (0, 1), t1.bb[np.ix_(sob,sVb)], (0, 2), (1, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x921, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x921, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 - del x921 - x922 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x922 += einsum(f.bb.vO, (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 0), (1, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x922, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x922, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 0, 4, 5, 6), (2, 3, 1, 4, 5, 6)) * -6.0 - del x922 - x923 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x923 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x923, (4, 5, 0, 6), (1, 6, 4, 3, 2, 5)) * -1.0 - del x923 - x924 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x924 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x924, (4, 0, 5, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x924 - x925 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x925 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 0, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x925, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x925 - x926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x926 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x926, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -2.0 - x927 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x927 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 0, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x927, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x928 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x928 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x928, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x928 - x929 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x929 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x929, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x929 - x930 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x930 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 5, 6), (6, 3, 0, 4, 1, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x930, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x930 - x931 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x931 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x931, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x931 - x932 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x932 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoV, (2, 1, 3, 4), (4, 0, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x932, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x932 - x933 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x933 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 5, 6), (1, 6, 0, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x933, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x933 - x934 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x934 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x934, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - x935 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x935 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oooO, (2, 0, 3, 4), (4, 2, 3, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x935, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x935 - x936 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x936 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x936, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x936 - x937 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x937 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.oovV, (4, 5, 3, 6), (1, 6, 4, 5, 0, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x937, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x937 - x938 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x938 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.oovv, (4, 5, 6, 2), (1, 3, 4, 5, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x938, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x938 - x939 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x939 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvoO, (2, 1, 3, 4), (4, 0, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x939, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x939 - x940 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x940 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvvV, (2, 1, 3, 4), (4, 0, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x940, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 - del x940 - x941 = np.zeros((naocc[1], navir[1], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x941 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x941, (2, 3, 4, 1, 5, 6), (4, 0, 2, 6, 5, 3)) * 2.0 - del x941 - x942 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x942 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooO, (2, 0, 3, 4), (4, 3, 2, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x942, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) - x943 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x943 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x943, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x944 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x944 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oooO, (2, 3, 0, 4), (4, 2, 3, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x944, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x944 - x945 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x945 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (4, 0, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x945, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x946 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x946 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x946, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x946, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) * -1.0 - del x946 - x947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x947 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x947, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x948 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x948 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvv, (2, 3, 4, 1), (3, 0, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x948, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x949 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x949 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x949, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x949 - x950 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x950 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oovV, (2, 3, 1, 4), (4, 2, 3, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x950, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x950 - x951 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x951 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x951, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) - del x951 - x952 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x952 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x952, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) - del x952 - x953 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x953 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x953, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x953 - x954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x954 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooO, (2, 0, 3, 4), (4, 1, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x954, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) * -1.0 - x955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x955 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x955, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x956 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x956 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooO, (2, 3, 0, 4), (4, 1, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x956, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x956 - x957 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x957 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvO, (0, 2, 3, 4), (4, 1, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x957, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x958 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x958 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x958, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -1.0 - x959 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x959 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x959, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x959 - x960 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x960 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x960, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - x961 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x961 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x961, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - x962 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x962 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x962, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x962 - x963 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x963 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvV, (2, 1, 3, 4), (4, 0, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x963, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) - x964 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x964 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x964, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - x965 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x965 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vvvV, (2, 3, 1, 4), (4, 0, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x965, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - del x965 - x966 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x966 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x966, (2, 3, 4, 5, 1, 6), (0, 4, 2, 6, 5, 3)) - del x966 - x967 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x967 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 6), (1, 3, 0, 5, 6, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x967, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x967 - x968 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x968 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoO, (2, 3, 0, 4), (4, 1, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x968, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 - del x968 - x969 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x969 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoo, (2, 3, 4, 0), (1, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x969, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x969 - x970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x970 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x970, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x971 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x971 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x971, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x971 - x972 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x972 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x972, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x973 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x973 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x973, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x973 - x974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x974 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x974, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x975 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x975 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x976 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x976 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvV, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x976, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -1.0 - x977 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x977 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x977, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x978 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x978 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x978, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) - del x978 - x979 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x979 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x979, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 - del x979 - x980 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x980 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 6, 2), (1, 3, 4, 0, 6, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x980, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - x981 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x981 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovov, (2, 3, 0, 4), (1, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x981, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - x982 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x982 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovov, (2, 3, 4, 1), (0, 2, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - x983 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x983 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x983, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x983 - x984 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x984 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x984, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x984 - x985 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) - x985 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x985, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x985 - x986 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x986 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x986, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 - del x986 - x987 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x987 += einsum(v.aabb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 6, 1, 7), (2, 7, 5, 0, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x987, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x987 - x988 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x988 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovOO, (0, 1, 2, 3), (2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x988, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x988, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - del x988 - x989 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x989 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 1, 7), (5, 7, 4, 0, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x989, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x989 - x990 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x990 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x990, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x990 - x991 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x991 += einsum(v.aabb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 1, 3), (6, 2, 5, 0, 4, 7)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x991, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x991 - x992 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x992 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovVV, (0, 1, 2, 3), (2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x992, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x992, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - del x992 - x993 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x993 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x993, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 - del x993 - x994 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x994 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x994, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 - del x994 - x995 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x995 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x995, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 - del x995 - x996 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) - x996 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoO, (2, 3, 0, 4), (2, 4, 3, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x996, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 - del x996 - x997 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) - x997 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x997, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 - del x997 - x998 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) - x998 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvV, (2, 3, 1, 4), (2, 3, 4, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x998, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 - del x998 - x999 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) - x999 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x999, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 - del x999 - x1000 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1000 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVvv, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1000, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - del x1000 - x1001 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1001 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OVoo, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1001, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 - del x1001 - x1002 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1002 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1002, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1002 - x1003 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1003 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1003, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1003 - x1004 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1004 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1004, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1004 - x1005 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1005 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1005, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x1006 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1006 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1006, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x1007 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1007 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (2, 3, 1, 4), (3, 4, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1007, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 0), (2, 4, 5, 6, 7, 1)) * 2.0 - x1008 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1008 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 1, 6, 7), (2, 7, 5, 4, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1008, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1008 - x1009 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1009 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 2, 6, 7), (1, 7, 5, 4, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1009, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1009 - x1010 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1010 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovOO, (0, 1, 2, 3), (2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1010, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1010, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - del x1010 - x1011 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1011 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oOvO, (0, 2, 1, 3), (2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1011, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1011, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - del x1011 - x1012 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1012 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 1, 7, 3), (6, 2, 5, 4, 0, 7)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1012, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1012 - x1013 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1013 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovVV, (0, 1, 2, 3), (2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1013, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1013, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - del x1013 - x1014 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1014 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oVvV, (0, 2, 1, 3), (2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1014, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1014, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) * -6.0 - del x1014 - x1015 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1015 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 0, 3, 4), (1, 4, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1015, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 7, 1), (3, 4, 5, 6, 7, 0)) * -2.0 - x1016 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1016 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1016, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x1017 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1017 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.oooV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1017, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 - del x1017 - x1018 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1018 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oVOO, (0, 2, 3, 4), (3, 4, 1, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1018, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1018, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - del x1018 - x1019 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1019 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oOOV, (0, 2, 3, 4), (3, 2, 1, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1019, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1019, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 0, 6, 7, 3), (4, 5, 1, 6, 7, 2)) * -6.0 - del x1019 - x1020 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1020 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvV, (0, 2, 3, 4), (1, 4, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1020, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x1021 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1021 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1021, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1021 - x1022 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1022 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvoV, (2, 3, 0, 4), (1, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1022, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 - del x1022 - x1023 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1023 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1023, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * 2.0 - x1024 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) - x1024 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.oovO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1024, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x1024 - x1025 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1025 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1025, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 - x1026 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1026 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvO, (2, 1, 3, 4), (0, 4, 3, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1026, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 2, 6, 7), (4, 5, 0, 3, 6, 7)) * 2.0 - x1027 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1027 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vOVV, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1027, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1027, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - del x1027 - x1028 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1028 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vVOV, (1, 2, 3, 4), (0, 3, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1028, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1028, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 2), (4, 5, 0, 6, 7, 3)) * 6.0 - del x1028 - x1029 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1029 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvvO, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1029, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 - del x1029 - x1030 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1030 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 3, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1030, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 - del x1030 - x1031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1031 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 2, 4, 5), (5, 3, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1031, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1032 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1032 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 1, 5), (5, 0, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1032, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1032 - x1033 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1033 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1033, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1033 - x1034 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1034 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 2, 4, 5), (5, 1, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1034, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1035 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1035 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoO, (0, 4, 1, 5), (5, 2, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1035, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 - del x1035 - x1036 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1036 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1036, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1036 - x1037 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1037 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1037, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x1037 - x1038 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1038 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1038, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1038 - x1039 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1039 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (3, 4, 5, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1039, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1039 - x1040 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1040 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 0, 5, 2), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1040, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x1040 - x1041 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1041 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ooov, (4, 5, 0, 2), (3, 4, 5, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1041, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1041 - x1042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1042 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1042, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1043 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1043 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1043, (4, 5, 6, 0, 1, 7), (7, 6, 4, 3, 2, 5)) - x1044 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1044 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1044, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1045 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1045 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (3, 0, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1045, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1045 - x1046 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1046 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 4, 5, 1), (3, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1046, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x1046 - x1047 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1047 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1047, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) - del x1047 - x1048 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1048 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 2, 3, 5), (5, 0, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1048, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1048 - x1049 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1049 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1049, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x1050 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1050 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1050, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x1050 - x1051 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1051 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 2, 4, 5), (5, 1, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1051, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - x1052 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1052 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvV, (0, 4, 3, 5), (5, 1, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1052, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x1052 - x1053 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1053 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1053, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 - del x1053 - x1054 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1054 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1054, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) - x1055 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1055 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1055, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) - del x1055 - x1056 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x1056 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1056, (4, 5, 6, 0, 2, 7), (1, 6, 4, 3, 7, 5)) - del x1056 - x1057 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1057 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1057, (4, 5, 6, 0, 3, 7), (1, 6, 4, 7, 2, 5)) * -1.0 - x1058 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x1058 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1058, (4, 5, 6, 0, 2, 7), (1, 6, 4, 3, 7, 5)) * -1.0 - del x1058 - x1059 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1059 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1059, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 - del x1059 - x1060 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1060 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1060, (4, 2, 5, 6), (1, 0, 4, 6, 5, 3)) * -1.0 - del x1060 - x1061 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1061 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1061, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) - del x1061 - x1062 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1062 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1062, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1062 - x1063 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1063 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1063, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) - x1064 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1064 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1064, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x1064 - x1065 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1065 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovvv, (0, 4, 5, 2), (3, 1, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1065, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) * -1.0 - del x1065 - x1066 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1066 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1066, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1066 - x1067 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1067 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 2, 1, 5), (5, 3, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1067, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1068 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1068 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1068, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1068 - x1069 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1069 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 2, 4, 5), (5, 3, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1069, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1070 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1070 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 3, 2, 4)) * -1.0 - x1071 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1071 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1070, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1071, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1071, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1071 - x1072 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1072 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 3, 1, 5), (5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1072, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1073 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1073 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1073, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1074 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1074, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1075 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1075, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1076 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1076 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 6, 2), (1, 3, 4, 5, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1076, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 - x1077 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1077 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1077, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 - del x1077 - x1078 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1078 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1078, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1079 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1079 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1079, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1080 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1080 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1080, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1080 - x1081 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1081 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1081, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 - del x1081 - x1082 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1082 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1082, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1082 - x1083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1083 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 - x1084 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1084 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1083, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1084, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1084, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -1.0 - del x1084 - x1085 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1085 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1085, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1085 - x1086 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1086 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1086, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 - x1087 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1087 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1087, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - x1088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1088 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1088, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1088, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - x1089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1089 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 3, 7), (6, 0, 4, 7, 2, 5)) * -2.0 - x1090 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1090 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -2.0 - x1091 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1091 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1091, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 - x1092 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1092 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x1093 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1093 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1092, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1093, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1093, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1093 - x1094 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1094 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - x1095 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1095 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1094, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1095 - x1096 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1096 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1096, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1096 - x1097 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1097 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 1, 2), (3, 4, 5, 0)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1097, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * 2.0 - del x1097 - x1098 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1098 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 4, 3, 5), (5, 0, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1098, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1099 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1099 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1099, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 2.0 - x1100 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1100 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 2), (3, 0, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1100, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) * 2.0 - x1101 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1101 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1102 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1102 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 2), (1, 3, 0, 6, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1102, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * -2.0 - x1103 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1103 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1103, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * 2.0 - del x1103 - x1104 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1104 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1104, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1104 - x1105 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1105 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1105, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 - del x1105 - x1106 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1106 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (1, 0, 5, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1106, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1106 - x1107 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1107 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1107, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 - del x1107 - x1108 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1108 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoO, (1, 3, 4, 5), (5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1108, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -4.0 - del x1108 - x1109 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1109 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovvV, (1, 3, 4, 5), (5, 0, 2, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1109, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 4.0 - del x1109 - x1110 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1110 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1110, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 - del x1110 - x1111 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1111 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1111, (2, 6, 5, 7, 8, 0), (1, 8, 6, 4, 3, 7)) - del x1111 - x1112 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1112 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1112, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 2.0 - del x1112 - x1113 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1113 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1113, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 - del x1113 - x1114 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1114 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 1, 6, 0, 4, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1114, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 - del x1114 - x1115 = np.zeros((naocc[0], naocc[1], navir[0], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1115 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 1, 5, 0, 4, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1115, (2, 6, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) - del x1115 - x1116 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1116 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 2, 1, 6, 3), (6, 4, 0, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1116, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 - del x1116 - x1117 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) - x1117 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 1, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1117, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 - del x1117 - x1118 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) - x1118 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 1, 4, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1118, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -2.0 - del x1118 - x1119 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1119 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 3, 0, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1119, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) * -1.0 - del x1119 - x1120 = np.zeros((naocc[0], navir[0], navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1120 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 3, 0, 4, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1120, (2, 5, 6, 7, 0, 8), (8, 7, 1, 4, 3, 6)) - del x1120 - x1121 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1121 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1121, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 - del x1121 - x1122 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) - x1122 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 3, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1122, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 - del x1122 - x1123 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) - x1123 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 3, 1)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1123, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -2.0 - del x1123 - x1124 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1124 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (4, 2, 5, 6), (5, 6, 0, 4, 1, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1124, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1124, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1124 - x1125 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1125 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (4, 5, 2, 6), (6, 5, 0, 4, 1, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1125, (2, 5, 6, 0, 7, 8), (7, 6, 1, 8, 3, 4)) - del x1125 - x1126 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1126 += einsum(v.aaaa.ovOV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1126, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 - del x1126 - x1127 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1127 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovOV, (0, 2, 4, 5), (4, 5, 1, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1127, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - del x1127 - x1128 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1128 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oVvO, (0, 4, 2, 5), (5, 4, 1, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1128, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 - del x1128 - x1129 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1129 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 4, 3, 5, 6), (4, 6, 5, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1129, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -2.0 - del x1129 - x1130 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1130 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 4, 5, 1, 6), (4, 6, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1130, (4, 5, 6, 2), (0, 1, 4, 6, 5, 3)) * 4.0 - x1131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1131 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 3, 1, 6), (5, 6, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 0), (6, 4, 1, 2, 3, 5)) * 4.0 - x1132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1132 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 3, 6, 7), (5, 7, 4, 2, 6, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1132, (4, 5, 6, 1, 7, 2), (6, 0, 4, 3, 7, 5)) * 2.0 - del x1132 - x1133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1133 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 6, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - x1134 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1134 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 1, 6), (5, 6, 4, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1134, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 - del x1134 - x1135 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[0], nvir[0]), dtype=np.float64) - x1135 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 6, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1135, (4, 5, 6, 0, 7, 2), (1, 6, 4, 3, 7, 5)) * 2.0 - del x1135 - x1136 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1136 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1136, (4, 5, 6, 0, 7, 3), (1, 6, 4, 7, 2, 5)) * 2.0 - del x1136 - x1137 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1137 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 5, 0, 4, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1137, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 - x1138 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1138 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 0, 4, 5, 6, 3), (4, 6, 1, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1138, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -2.0 - del x1138 - x1139 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1139 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1139, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 - del x1139 - x1140 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1140 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 1, 3), (5, 4, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1140, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -2.0 - del x1140 - x1141 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1141 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 4, 5), (3, 5, 1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1141, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x1142 = np.zeros((navir[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1142 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 4, 1, 5), (3, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1142, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 - del x1142 - x1143 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1143 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoV, (0, 2, 1, 4), (3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1143, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1143, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - del x1143 - x1144 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1144 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 3, 2, 5, 6), (6, 4, 5, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1144, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -2.0 - del x1144 - x1145 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) - x1145 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 2, 3, 5), (1, 5, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1145, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * -2.0 - del x1145 - x1146 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1146 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1147 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1147 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 3, 2, 1, 6), (6, 5, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1147, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -2.0 - del x1147 - x1148 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1148 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 4, 5), (1, 5, 3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1148, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -2.0 - x1149 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1149 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 2, 3, 4), (1, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1149, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1149, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - del x1149 - x1150 = np.zeros((naocc[1], naocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1150 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1150, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 - del x1150 - x1151 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1151 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1151, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 - del x1151 - x1152 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1152 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1152, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1152, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - del x1152 - x1153 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1153 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 2, 4, 5, 3, 6), (4, 6, 5, 1)) - x1154 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1154 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1154, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - del x1154 - x1155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1155 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 1, 3, 6), (5, 6, 4, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -6.0 - x1156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1156 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 6, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - x1157 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1157 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 1, 7), (5, 7, 4, 0, 6, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (6, 0, 4, 7, 2, 5)) * -6.0 - x1158 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1158 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 1, 3), (5, 4, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 6.0 - x1159 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1159 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 0, 3, 5, 2, 6), (6, 4, 5, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 3.0 - x1160 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1160 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 0, 3, 5, 1, 6), (6, 4, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -3.0 - x1161 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1161 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 2), (4, 1, 5, 3, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1161, (2, 6, 5, 7, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 - del x1161 - x1162 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1162 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 2), (4, 1, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1162, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * 4.0 - del x1162 - x1163 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1163 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 1, 5, 0, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (0, 1, 2, 3, 4, 5), x1163, (2, 6, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 - del x1163 - x1164 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) - x1164 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 0, 3), (4, 1, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1164, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * -4.0 - del x1164 - x1165 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1165 += einsum(v.aabb.OVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 3, 1), (5, 4, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1165, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 - del x1165 - x1166 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) - x1166 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 2), (4, 5, 3, 0)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1166, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * -4.0 - del x1166 - x1167 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1167 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 1, 3), (4, 5, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1167, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 - del x1167 - x1168 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1168 += einsum(x18, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 2, 3, 4, 5, 6), (3, 6, 2, 0, 5, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1168, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1168 - x1169 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1169 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1169, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * -4.0 - del x1169 - x1170 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1170 += einsum(x37, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 5, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1170 - x1171 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1171 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 1, 7), (5, 7, 0, 4, 3, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1171, (4, 5, 1, 6, 3, 7), (6, 0, 4, 7, 2, 5)) * -4.0 - x1172 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1172 += einsum(x183, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 5, 0)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1172 - x1173 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1173 += einsum(x111, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 2, 0, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1173, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1173 - x1174 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1174 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 1, 6, 3), (5, 4, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1174, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 4.0 - del x1174 - x1175 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1175 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 4, 5), (3, 5, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1175, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 4.0 - x1176 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 2, 1, 5), (3, 5, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1176, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -4.0 - x1177 = np.zeros((navir[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1177 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 4, 0, 5), (3, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1177, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 7, 1), (4, 5, 6, 2, 7, 0)) * 2.0 - x1178 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1178 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1178, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1178, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - del x1178 - x1179 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoV, (1, 2, 0, 4), (3, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1179, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1179, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - del x1179 - x1180 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1180 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 4, 3, 2, 5, 6), (6, 4, 5, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1180, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1180 - x1181 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1181 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 3, 2, 5), (1, 5, 0, 4)) * -1.0 - x1182 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1182 += einsum(x1181, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (0, 7, 4, 2, 6, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1182 - x1183 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1183 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 4, 3, 1, 5, 6), (6, 4, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1183, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1183 - x1184 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 4, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1184, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * 4.0 - x1185 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1185 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 3, 2, 4), (1, 4)) * -1.0 - x1186 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1186 += einsum(x1185, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (0, 6, 3, 2, 5, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1186 - x1187 = np.zeros((naocc[1], naocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1187 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvO, (0, 4, 3, 5), (1, 5, 2, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1187, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (4, 5, 0, 2, 6, 7)) * -4.0 - x1188 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1188 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * -2.0 - x1189 = np.zeros((naocc[1], naocc[1], navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 2, 6), (1, 6, 3, 5, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 0), (8, 1, 6, 3, 4, 7)) * 2.0 - x1190 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1190 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1190, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1190, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 12.0 - del x1190 - x1191 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oVvO, (0, 4, 2, 5), (1, 5, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1191, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1191, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -12.0 - del x1191 - x1192 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1192 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoO, (2, 1, 3, 4), (4, 0, 2, 3)) - x1193 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1193 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1192, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1193, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1193 - x1194 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x151, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1194, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1194 - x1195 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1195 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x1196 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1196 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1195, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 - del x1195 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1196, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1196 - x1197 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1197 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x915, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1197, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1197 - x1198 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1198 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1192, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1192 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1198, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1198 - x1199 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1199 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoO, (4, 2, 5, 6), (6, 3, 0, 4, 1, 5)) * -1.0 - x1200 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1200 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1199, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1199 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1200, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1200 - x1201 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1201 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (4, 2, 0, 3)) - x1202 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1202 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1201, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1202, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1202 - x1203 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1203 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x151, (4, 0, 5, 6), (1, 3, 4, 6, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1203, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) - del x1203 - x1204 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1204 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1201, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1204, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1204 - x1205 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1205 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1057, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) - del x1057 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1205, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1205 - x1206 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1206 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1043, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1043 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1206, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1206 - x1207 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1207 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(x1207, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x1208 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1208 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1207, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1208, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x1208 - x1209 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1209 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1207, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x1207 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1209, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1209 - x1210 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1210 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoo, (2, 3, 4, 0), (1, 2, 4, 3)) - x1211 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1211 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1210, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1211, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1211 - x1212 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1212 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1210, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1212, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1212 - x1213 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1213 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(x1213, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x1214 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1214 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1213, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1214, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1214 - x1215 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1215 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x1216 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1216 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1215, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1216, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x1216 - x1217 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1217 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1213, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x1213 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1217, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1217 - x1218 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1218 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1215, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1218, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1218 - x1219 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1219 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x156, (4, 5, 6, 0), (1, 3, 5, 4, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1219, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1219 - x1220 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1220 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1076, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1076 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1220, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1220 - x1221 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1221 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x1222 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1222 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1221, (4, 5, 6, 3), (1, 4, 6, 5, 0, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1222, (2, 3, 0, 4, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1222 - x1223 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1223 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1102, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x1102 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1223, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1223 - x1224 = np.zeros((navir[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1224 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.vvov, (2, 3, 0, 4), (1, 2, 3, 4)) - x1225 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1225 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1224, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1225, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1225 - x1226 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1226 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x1227 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1227 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1226, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1227, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1227 - x1228 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1228 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.vvov, (2, 3, 4, 1), (0, 4, 2, 3)) - x1229 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1229 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1228, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1229, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1229 - x1230 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1230 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoO, (2, 1, 3, 4), (4, 0, 3, 2)) - x1231 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1231 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1230, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1231, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1232 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1232 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1230, (2, 3, 0, 4), (2, 3, 4, 1)) - del x1230 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1232, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1233 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1233 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x156, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1233, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1233 - x1234 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1234 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvV, (2, 1, 3, 4), (4, 0, 2, 3)) - x1235 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1235 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1234, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1235, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1235 - x1236 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1236 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvV, (2, 3, 1, 4), (4, 0, 2, 3)) - x1237 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1237 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1236, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1237, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1237 - x1238 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1238 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoO, (0, 2, 3, 4), (4, 1, 3, 2)) - x1239 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1239 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1238, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1239, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1240 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1240 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoO, (2, 3, 0, 4), (4, 1, 2, 3)) - x1241 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1241 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1240, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1241, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x1242 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1242 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1240, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1242, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1242 - x1243 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1243 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1238, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1243, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1243 - x1244 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1244 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1221, (2, 3, 4, 1), (2, 4, 3, 0)) - del x1221 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1244, (4, 0, 5, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1244 - x1245 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1245 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ooov, (2, 3, 0, 4), (1, 2, 3, 4)) - x1246 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1246 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1245, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1246, (2, 3, 4, 0, 5, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1246 - x1247 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1247 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ooov, (2, 0, 3, 4), (1, 2, 3, 4)) - x1248 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1248 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1247, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1248, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1248 - x1249 = np.zeros((navir[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1249 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x1250 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1250 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1249, (2, 1, 3, 4), (2, 0, 4, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1250, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) - x1251 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1251 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1249, (2, 3, 4, 1), (2, 0, 3, 4)) - del x1249 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1251, (4, 5, 3, 6), (5, 0, 1, 6, 2, 4)) * -1.0 - x1252 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1252 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x914, (2, 3, 4, 5, 6, 1), (2, 3, 4, 0, 5, 6)) - del x914 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1252, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1252 - x1253 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1253 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1224, (2, 3, 4, 1), (2, 0, 4, 3)) - del x1224 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1253, (4, 5, 2, 6), (5, 0, 1, 3, 6, 4)) - del x1253 - x1254 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1254 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ooov, (2, 3, 4, 1), (0, 2, 3, 4)) - x1255 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1255 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1254, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1255, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1256 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1256 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1254, (2, 3, 4, 0), (2, 4, 3, 1)) - del x1254 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1256, (4, 1, 5, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1257 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1257 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1226, (2, 3, 4, 0), (2, 4, 3, 1)) - del x1226 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1257, (4, 0, 5, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1257 - x1258 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1258 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvV, (2, 3, 1, 4), (0, 4, 2, 3)) - x1259 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1259 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1258, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1259, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1260 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1260 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvV, (2, 1, 3, 4), (0, 4, 2, 3)) - x1261 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1261 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1260, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1261, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x1262 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1262 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x1263 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1263 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1262, (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1263, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1264 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1264 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x1265 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1265 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1264, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1265, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1266 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1266 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1260, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1266, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1266 - x1267 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1267 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1258, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1267, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1267 - x1268 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1268 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ooov, (4, 0, 5, 3), (2, 1, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1268, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1269 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1269 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1269, (4, 5, 1, 6), (6, 0, 4, 3, 2, 5)) - x1270 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1270 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ooov, (4, 5, 0, 3), (2, 1, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1270, (4, 5, 0, 6), (1, 6, 4, 3, 2, 5)) - del x1270 - x1271 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1271 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1271, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) * -1.0 - x1272 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1272 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1272, (4, 5, 3, 6), (1, 0, 4, 6, 2, 5)) - x1273 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1273 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1228, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1228 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1273, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1273 - x1274 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1274 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.vvov, (4, 5, 0, 3), (2, 1, 4, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1274, (4, 5, 2, 6), (1, 0, 4, 3, 6, 5)) * -1.0 - del x1274 - x1275 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1275 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1275, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1275 - x1276 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1276 += einsum(x35, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1276, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1276 - x1277 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1277 += einsum(x11, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1277, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1277 - x1278 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1278 += einsum(x12, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1278, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1278 - x1279 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1279 += einsum(x33, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 1, 4, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1279, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -6.0 - del x1279 - x1280 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1280 += einsum(x33, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 3, 6, 7), (5, 7, 0, 4, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1280, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1280 - x1281 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1281 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1281, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1281 - x1282 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1282 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1137, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1137 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1282, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1282 - x1283 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1283 += einsum(x15, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 3, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1283, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1283 - x1284 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1284 += einsum(x0, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1284, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1284 - x1285 = np.zeros((navir[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1285 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x1286 = np.zeros((navir[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1286 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1285, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1286, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 - del x1286 - x1287 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1287 += einsum(x1285, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 5, 2, 4, 7)) - del x1285 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1287, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1287 - x1288 = np.zeros((navir[1], nocc[1]), dtype=np.float64) - x1288 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovoV, (0, 1, 2, 3), (3, 2)) - x1289 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1289 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1288, (2, 0), (1, 2)) - del x1288 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1289, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1289, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - del x1289 - x1290 = np.zeros((naocc[1], naocc[1], nocc[0], nvir[0]), dtype=np.float64) - x1290 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x1291 = np.zeros((naocc[1], naocc[1], nocc[0], nocc[0]), dtype=np.float64) - x1291 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1290, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1291, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x1291 - x1292 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1292 += einsum(x1290, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 5, 2, 4, 6)) - del x1290 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1292, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1292 - x1293 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) - x1293 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ovvO, (0, 1, 2, 3), (3, 2)) - x1294 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1294 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1293, (2, 1), (0, 2)) - del x1293 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1294, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1294, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - del x1294 - x1295 = np.zeros((naocc[0], naocc[1], navir[0], nocc[1]), dtype=np.float64) - x1295 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.aabb.OVov, (2, 3, 4, 1), (2, 0, 3, 4)) - x1296 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1296 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1296, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 7, 6, 3)) * -2.0 - del x1296 - x1297 = np.zeros((naocc[0], naocc[1], navir[0], nvir[1]), dtype=np.float64) - x1297 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1295, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1295 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1297, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 2), (5, 4, 1, 3, 6, 7)) * 2.0 - del x1297 - x1298 = np.zeros((naocc[0], navir[0], navir[1], nvir[1]), dtype=np.float64) - x1298 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.aabb.OVov, (2, 3, 0, 4), (2, 3, 1, 4)) - x1299 = np.zeros((naocc[0], navir[0], navir[1], nocc[1]), dtype=np.float64) - x1299 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1298, (2, 3, 4, 1), (2, 3, 4, 0)) - del x1298 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1299, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,svb,sVfa)], (4, 5, 0, 6, 7, 1), (3, 4, 5, 7, 6, 2)) * 2.0 - del x1299 - x1300 = np.zeros((naocc[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1300 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x169, (2, 3, 4, 0), (2, 3, 4, 1)) - del x169 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1300, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sOb,sOfa,sva,sVb,sVfa)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 - del x1300 - x1301 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1301 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (1, 4, 5, 3, 6, 7), (5, 7, 4, 0, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1301, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1301 - x1302 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1302 += einsum(x16, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 4, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1302, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1302 - x1303 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1303 += einsum(x1, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1303, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1303 - x1304 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1304 += einsum(x20, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 1, 5, 6), (4, 6, 3, 2, 0, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1304, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1304 - x1305 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1305 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (0, 2, 3, 4), (1, 4, 3, 2)) - x1306 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1306 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1305, (2, 3, 4, 1), (2, 3, 0, 4)) - del x1305 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1306, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * -2.0 - x1307 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1307 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x1308 = np.zeros((navir[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1308 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1307, (2, 3, 4, 1), (2, 3, 0, 4)) - del x1307 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1308, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 5, 6, 7, 1), (2, 4, 5, 6, 7, 0)) * 2.0 - x1309 = np.zeros((navir[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1309 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.ovoV, (2, 3, 0, 4), (1, 4, 2, 3)) - x1310 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1310 += einsum(x1309, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 6, 3, 7, 1), (6, 0, 5, 4, 2, 7)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1310, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1310 - x1311 = np.zeros((navir[1], nocc[1]), dtype=np.float64) - x1311 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (0, 1, 2, 3), (3, 2)) - x1312 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1312 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1311, (2, 0), (1, 2)) - del x1311 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1312, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1312, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * -6.0 - del x1312 - x1313 = np.zeros((navir[1], nocc[1]), dtype=np.float64) - x1313 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 0, 3), (3, 2)) - x1314 = np.zeros((navir[1], navir[1]), dtype=np.float64) - x1314 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1313, (2, 0), (1, 2)) - del x1313 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1314, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1314, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 6, 0)) * 6.0 - del x1314 - x1315 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1315 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 3, 1, 4), (0, 4, 2, 3)) - x1316 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1316 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1315, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1316, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) - x1317 = np.zeros((naocc[1], naocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1317 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovvO, (2, 1, 3, 4), (0, 4, 2, 3)) - x1318 = np.zeros((naocc[1], naocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1318 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1317, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1318, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (3, 4, 1, 5, 6, 7), (2, 4, 0, 5, 6, 7)) * -1.0 - x1319 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1319 += einsum(x1317, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1319, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1319 - x1320 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1320 += einsum(x1315, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 3, 6, 7), (0, 7, 5, 4, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1320, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1320 - x1321 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) - x1321 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 1, 2, 3), (3, 2)) - x1322 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1322 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1321, (2, 1), (0, 2)) - del x1321 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1322, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1322, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * -6.0 - del x1322 - x1323 = np.zeros((naocc[1], nvir[1]), dtype=np.float64) - x1323 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovvO, (0, 2, 1, 3), (3, 2)) - x1324 = np.zeros((naocc[1], naocc[1]), dtype=np.float64) - x1324 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), x1323, (2, 1), (0, 2)) - del x1323 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1324, (0, 1), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1324, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (2, 3, 0, 4, 5, 6)) * 6.0 - del x1324 - x1325 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=np.float64) - x1325 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x1326 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1326 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1325, (2, 3, 4, 0), (2, 3, 1, 4)) - del x1325 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1326, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1326, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * -6.0 - del x1326 - x1327 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1]), dtype=np.float64) - x1327 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.oVvO, (2, 3, 1, 4), (0, 4, 3, 2)) - x1328 = np.zeros((naocc[1], naocc[1], navir[1], navir[1]), dtype=np.float64) - x1328 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), x1327, (2, 3, 4, 0), (2, 3, 1, 4)) - del x1327 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1328, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1328, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) * 6.0 - del x1328 - x1329 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1329 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(x1329, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 2.0 - x1330 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1330 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1329, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1330, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1330 - x1331 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1331 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(x1331, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x1332 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1332 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1331, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1332, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x1332 - x1333 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1333 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x35, (4, 0, 5, 2), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1333, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1333 - x1334 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1334 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (3, 4, 1, 5)) * -1.0 - x1335 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1335 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1334, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1335, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1335 - x1336 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1336 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x35, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1336, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x1336 - x1337 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1337 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (3, 4, 1, 5)) * -1.0 - x1338 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1338 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1337, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1338, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1338 - x1339 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1339 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1329, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x1329 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1339, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1339 - x1340 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1340 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1331, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x1331 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1340, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1340 - x1341 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x1341 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x1342 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1342 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1341, (4, 5, 6, 7, 0, 2), (4, 5, 6, 7, 1, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1342, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1342 - x1343 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1343 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1341, (4, 5, 6, 0, 7, 2), (4, 5, 6, 7, 1, 3)) - del x1341 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1343, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1343 - x1344 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1344 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 5, 0, 2), (1, 4, 5, 3)) * -1.0 - x1345 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1345 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1344, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1345, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1345 - x1346 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1346 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aaaa.ovov, (4, 2, 0, 5), (1, 4, 5, 3)) * -1.0 - x1347 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1347 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1346, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1347, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1347 - x1348 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1348 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1334, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1348, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -1.0 - del x1348 - x1349 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1349 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1337, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1349, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1349 - x1350 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1350 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1350, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1350 - x1351 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1351 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1351, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x1351 - x1352 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1352 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1352, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1352 - x1353 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1353 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1353, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1353 - x1354 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1354 += einsum(x11, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1354, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1354 - x1355 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1355 += einsum(x12, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1355, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x1355 - x1356 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1356 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x980, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1356, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) * 2.0 - x1357 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1357 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(x1357, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * 4.0 - x1358 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1358 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1357, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1358, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -2.0 - del x1358 - x1359 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1359 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x33, (4, 0, 1, 5), (3, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1359, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1359 - x1360 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1360 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x33, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1360, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * 2.0 - del x1360 - x1361 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1361 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x980, (4, 5, 6, 7, 1, 2), (4, 5, 0, 6, 7, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1361, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1361 - x1362 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1362 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x176, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1362, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1362 - x1363 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1363 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1357, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x1357 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1363, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1363 - x1364 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1364 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - x1365 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1365 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1364, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1365, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1365 - x1366 = np.zeros((naocc[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1366 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - x1367 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1367 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1366, (4, 5, 2, 6), (4, 3, 0, 5, 1, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1367, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1367 - x1368 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1368 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1368, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1369 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1369 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1369, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1370 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1370 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x33, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1370, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1370 - x1371 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1371 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 1, 2), (3, 4, 0, 5)) * -1.0 - x1372 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1372 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1371, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1372, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * 2.0 - del x1372 - x1373 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1373 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (1, 0, 4, 5)) * -1.0 - x1374 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1374 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1373, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1374, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1374 - x1375 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1375 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1371, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1375, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1375 - x1376 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1376 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x934, (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1376, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1376 - x1377 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1377 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1377, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1377 - x1378 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1378 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 3, 4, 5)) - x1379 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1379 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1378, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1379, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1380 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1380 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x934, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1380, (4, 5, 6, 0, 7, 1), (7, 6, 4, 3, 2, 5)) - x1381 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1381 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x13, (0, 4, 5, 2), (1, 4, 5, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1381, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1382 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1382 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1364, (2, 3, 4, 1), (2, 3, 4, 0)) - del x1364 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1382, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) - del x1382 - x1383 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1383 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x13, (0, 4, 1, 5), (3, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1383, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) - del x1383 - x1384 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1384 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x176, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1384, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1384 - x1385 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1385 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1378, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1385, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1385 - x1386 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1386 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x934, (4, 5, 6, 0, 7, 3), (4, 5, 6, 1, 7, 2)) - del x934 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1386, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1386 - x1387 = np.zeros((naocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1387 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (1, 5, 2, 4)) * -1.0 - x1388 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1388 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1387, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1387 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1388, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1388 - x1389 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1389 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1373, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1373 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1389, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) - del x1389 - x1390 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1390 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 - x1391 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1391 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1390, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1391, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1391 - x1392 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1392 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sOb,sva,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1392, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1392 - x1393 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1393 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sob,sva,sVb)], (2, 3, 1, 4), (4, 2, 0, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1393, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1393 - x1394 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1394 += einsum(x15, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 1, 4), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1394, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1394 - x1395 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1395 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1395, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 - del x1395 - x1396 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1396 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 5, 2, 3), (4, 0, 5, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1396, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1396 - x1397 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1397 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 2, 5), (1, 4, 3, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1397, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -1.0 - x1398 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1398 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x981, (4, 5, 2, 3), (1, 4, 0, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1398, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1398 - x1399 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1399 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 2, 5), (4, 1, 3, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1399, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -1.0 - x1400 = np.zeros((navir[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1400 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x981, (4, 0, 5, 3), (4, 1, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1400, (4, 5, 6, 2), (5, 0, 1, 3, 6, 4)) * -1.0 - del x1400 - x1401 = np.zeros((naocc[1], navir[1], nvir[0], nvir[0]), dtype=np.float64) - x1401 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 0, 1, 5), (4, 3, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1401, (4, 5, 6, 2), (1, 0, 4, 3, 6, 5)) * -1.0 - del x1401 - x1402 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1402 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 0, 5, 2), (4, 3, 1, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1402, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1403 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1403 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 5, 1, 2), (4, 0, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1403, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1403 - x1404 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1404 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1404, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) * -1.0 - del x1404 - x1405 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1405 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 0, 5, 2), (4, 1, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1405, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1406 = np.zeros((naocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1406 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x982, (4, 0, 1, 5), (4, 2, 5, 3)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1406, (4, 5, 2, 6), (1, 0, 4, 6, 5, 3)) * -1.0 - del x1406 - x1407 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1407 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 0, 2), (1, 3, 4, 5)) - x1408 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1408 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1407, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1408, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1409 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1409 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 0, 5), (1, 3, 4, 5)) - x1410 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1410 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1409, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1410, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1411 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1411 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x16, (4, 0, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1411, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1412 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1412 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x16, (4, 5, 0, 3), (1, 4, 5, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1412, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1413 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1413 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 6, 2), (1, 3, 0, 4, 6, 5)) - x1414 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1414 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 7, 1, 3), (4, 5, 0, 6, 7, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1414, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1414 - x1415 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1415 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 7, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1415, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1415 - x1416 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1416 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1407, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1416, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1416 - x1417 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1417 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1417, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1417 - x1418 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1418 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 5, 2), (1, 0, 4, 5)) - x1419 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1419 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1418, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1418 - x1420 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1420 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1419, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1420, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1420 - x1421 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1421 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1421, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1422 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1422 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (2, 3, 1, 4), (3, 4, 2, 0)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1422, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1423 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1423 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1423, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1424 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1424 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sOb,svb,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1425 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1425 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x16, (4, 1, 0, 5), (3, 4, 2, 5)) - x1426 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1426 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1426, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1426 - x1427 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1427 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x1428 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1428 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1427, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1428, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -2.0 - del x1428 - x1429 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1429 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 2, 1, 5), (3, 0, 4, 5)) * -1.0 - x1430 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1430 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1429, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1430, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * 2.0 - del x1430 - x1431 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1431 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1431, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1431 - x1432 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1432 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sOb,sva,svb)], (2, 3, 4, 1), (3, 2, 0, 4)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1432, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1432 - x1433 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1433 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x961, (4, 1, 5, 3), (4, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1433, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1433 - x1434 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1434 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 3, 2), (1, 4, 0, 5)) - x1435 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1435 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1434, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1435, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1435, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1435 - x1436 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1436 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x961, (4, 1, 3, 5), (4, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1436, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1436 - x1437 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1437 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 0, 3, 5), (1, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1437, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * 2.0 - x1438 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1438 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 0, 5, 3), (1, 4, 2, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1438, (4, 5, 6, 3), (1, 0, 4, 6, 2, 5)) * -2.0 - x1439 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1439 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 1, 3, 5), (4, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1439, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * -2.0 - x1440 = np.zeros((navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1440 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 1, 5, 3), (4, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (5, 0, 1, 6, 2, 4)) * 2.0 - x1441 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1441 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x975, (4, 5, 1, 3), (4, 0, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1441, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1441 - x1442 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1442 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 5, 2), (4, 3, 0, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1442, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * 2.0 - x1443 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1443 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x975, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1443, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1443 - x1444 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1444 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 2), (4, 3, 0, 5)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -2.0 - x1445 = np.zeros((naocc[1], navir[1], nvir[1], nvir[1]), dtype=np.float64) - x1445 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 1, 0, 5), (4, 3, 2, 5)) - x1446 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1446 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(x1446, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) - del x1446 - x1447 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1447 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1447, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -2.0 - x1448 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1448 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 5, 1, 3), (4, 0, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1448, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * 2.0 - x1449 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1449 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x980, (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1449, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -4.0 - del x1449 - x1450 = np.zeros((navir[1], nocc[0], nvir[0], nvir[1]), dtype=np.float64) - x1450 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x981, (4, 1, 3, 5), (4, 0, 2, 5)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1450, (4, 5, 6, 3), (0, 5, 1, 2, 6, 4)) * -4.0 - del x1450 - x1451 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1451 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x982, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1451, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * -4.0 - del x1451 - x1452 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1452 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x197, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1452, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1452 - x1453 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1453 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1356, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1356 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1453, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * 2.0 - del x1453 - x1454 = np.zeros((navir[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1454 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x981, (2, 3, 1, 4), (2, 0, 3, 4)) - x1455 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1455 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1454, (4, 5, 6, 3), (1, 4, 5, 6, 0, 2)) * -1.0 - del x1454 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1455, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) * -2.0 - del x1455 - x1456 = np.zeros((naocc[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1456 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x982, (2, 3, 4, 1), (2, 0, 3, 4)) - x1457 = np.zeros((naocc[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1457 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1456, (2, 3, 0, 4), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1457, (4, 5, 1, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1457 - x1458 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1458 += einsum(t2.abab[np.ix_(soa,sOb,sva,sVb)], (0, 1, 2, 3), x197, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1458, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1458 - x1459 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1459 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1380, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1380 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1459, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1459 - x1460 = np.zeros((navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x1460 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x981, (2, 3, 4, 1), (2, 3, 0, 4)) - del x981 - x1461 = np.zeros((navir[1], nocc[0], nocc[0], nocc[1]), dtype=np.float64) - x1461 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1460, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1461, (4, 5, 0, 6), (6, 5, 1, 3, 2, 4)) * -1.0 - del x1461 - x1462 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1462 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1460, (4, 5, 6, 2), (1, 4, 0, 5, 6, 3)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1462, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1462 - x1463 = np.zeros((naocc[1], nocc[0], nocc[0], nvir[1]), dtype=np.float64) - x1463 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1456, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1456 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1463, (4, 5, 0, 6), (1, 5, 4, 6, 2, 3)) * -1.0 - del x1463 - x1464 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1464 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x982, (4, 5, 6, 2), (4, 3, 0, 5, 1, 6)) * -1.0 - x1465 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1465 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1464, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1464 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1465, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1465 - x1466 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1466 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.aabb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,sVb,sVfb)] += einsum(x1466, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 2, 5, 6, 3, 7), (4, 5, 0, 6, 7, 1)) * -2.0 - x1467 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1467 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1466, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1467, (4, 5, 6, 0), (1, 6, 4, 3, 2, 5)) - del x1467 - x1468 = np.zeros((naocc[1], navir[1], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1468 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1466, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x1466 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1468, (2, 3, 4, 0, 5, 6), (5, 4, 2, 6, 1, 3)) - del x1468 - x1469 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1469 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x961, (2, 3, 1, 4), (2, 0, 3, 4)) - x1470 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1470 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1469, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1470, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1470 - x1471 = np.zeros((navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1471 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x961, (2, 3, 4, 1), (2, 0, 3, 4)) - x1472 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1472 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), x1471, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1472, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1472 - x1473 = np.zeros((naocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1473 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x975, (2, 3, 4, 1), (2, 0, 4, 3)) - x1474 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1474 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1473, (2, 3, 4, 0), (2, 3, 4, 1)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1474, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) - x1475 = np.zeros((naocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1475 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1473, (2, 3, 0, 4), (2, 3, 4, 1)) - del x1473 - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), x1475, (4, 5, 1, 6), (5, 0, 4, 6, 2, 3)) * -1.0 - x1476 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1476 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovov, (4, 3, 0, 5), (2, 1, 4, 5)) - x1477 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1477 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1476, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1477, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) * -1.0 - x1478 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1]), dtype=np.float64) - x1478 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), t1.bb[np.ix_(sOb,svb)], (2, 3), v.bbbb.ovov, (4, 5, 0, 3), (2, 1, 4, 5)) - x1479 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1479 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1478, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1479, (4, 5, 6, 1), (6, 0, 4, 3, 2, 5)) - x1480 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1480 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1480, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) * -1.0 - del x1480 - x1481 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1481 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1478, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1481, (2, 3, 4, 5, 0, 6), (5, 4, 2, 1, 6, 3)) - del x1481 - x1482 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1482 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 5, 6, 3), (0, 2, 4, 1, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1482, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1482, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 2.0 - x1483 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1483 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 4, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1483, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1483, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * 4.0 - del x1483 - x1484 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1484 += einsum(f.aa.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 0, 2, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1484, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1484 - x1485 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1485 += einsum(f.bb.ov, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 0, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1485, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1485 - x1486 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1486 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 0, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1486, (4, 5, 1, 6), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1486 - x1487 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1487 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 0, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1487, (4, 5, 1, 6), (5, 6, 0, 2, 3, 4)) - del x1487 - x1488 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1488 += einsum(f.bb.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1488, (4, 1, 5, 6), (0, 5, 4, 6, 3, 2)) - del x1488 - x1489 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1489 += einsum(f.aa.ov, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1489, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1489 - x1490 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1490 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oOvV, (4, 5, 2, 6), (5, 6, 0, 4, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1490, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1490 - x1491 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1491 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOoo, (0, 2, 3, 4), (2, 1, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1491, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1491 - x1492 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1492 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOvv, (0, 2, 3, 4), (2, 1, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1492, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 - del x1492 - x1493 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1493 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVoo, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1493, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1493 - x1494 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1494 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVvv, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1494, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) - del x1494 - x1495 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1495 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOoo, (0, 2, 3, 4), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1495, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1495 - x1496 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1496 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOvv, (4, 5, 6, 3), (5, 2, 0, 4, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1496, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1496 - x1497 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1497 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvoo, (2, 1, 3, 4), (0, 3, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1497, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1497 - x1498 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1498 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvvv, (2, 1, 3, 4), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1498, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 - del x1498 - x1499 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1499 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.oovV, (4, 5, 2, 6), (0, 6, 4, 5, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1499, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1499 - x1500 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1500 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoV, (4, 2, 5, 6), (0, 6, 5, 4, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1500, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1500 - x1501 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1501 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oooo, (2, 0, 3, 4), (1, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1501, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1501 - x1502 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1502 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oovv, (2, 0, 3, 4), (1, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1502, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) - del x1502 - x1503 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1503 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVoo, (1, 2, 3, 4), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1503, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1503 - x1504 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1504 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVvv, (1, 2, 3, 4), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1504, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 - del x1504 - x1505 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1505 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oooo, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1505, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1505 - x1506 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1506 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oovv, (4, 5, 6, 3), (0, 2, 4, 5, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1506, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1506 - x1507 = np.zeros((naocc[0], navir[0], nocc[1], nvir[0], nvir[0], nvir[1]), dtype=np.float64) - x1507 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvvv, (4, 5, 6, 3), (0, 2, 1, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1507, (2, 3, 4, 1, 5, 6), (0, 4, 2, 5, 6, 3)) - del x1507 - x1508 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1508 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1508, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1508 - x1509 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1509 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vOov, (2, 3, 4, 1), (3, 0, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1509, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1509 - x1510 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1510 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vOov, (4, 5, 6, 3), (5, 2, 0, 1, 6, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1510, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1510 - x1511 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1511 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oVov, (2, 3, 4, 1), (3, 2, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1511, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1511 - x1512 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1512 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oVov, (4, 5, 6, 3), (0, 5, 4, 1, 6, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1512, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1512 - x1513 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1513 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 5, 6, 3), (0, 2, 4, 1, 6, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1513, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - x1514 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1514 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOvv, (2, 3, 4, 1), (3, 2, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1514, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1514 - x1515 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1515 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOoo, (2, 3, 4, 0), (3, 2, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1515, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1515 - x1516 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1516 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.oooo, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1516, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1516 - x1517 = np.zeros((naocc[0], navir[0], nocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1517 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1517, (2, 3, 4, 5, 1, 6), (4, 0, 2, 5, 6, 3)) * 2.0 - del x1517 - x1518 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1518 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.vvoo, (4, 2, 5, 6), (1, 3, 0, 5, 6, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1518, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1518 - x1519 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1519 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vVvv, (2, 3, 4, 1), (3, 0, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1519, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1519 - x1520 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1520 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.vVoo, (3, 4, 5, 6), (1, 4, 0, 5, 6, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1520, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1520 - x1521 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1521 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1521, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1521 - x1522 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1522 += einsum(v.aaaa.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1522, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1522 - x1523 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1523 += einsum(v.aaaa.ovOO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 1, 6, 7), (2, 7, 4, 0, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1523, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1523 - x1524 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1524 += einsum(v.aaaa.oOvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 3, 2, 6, 7), (1, 7, 4, 0, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1524, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1524 - x1525 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1525 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 1, 6, 7), (5, 7, 4, 0, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1525, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1525 - x1526 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1526 += einsum(v.aabb.ovvv, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1526, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1526 - x1527 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1527 += einsum(v.aaaa.ovVV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 7, 3), (6, 2, 4, 0, 5, 7)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1527, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1527 - x1528 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1528 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVoo, (0, 2, 3, 4), (1, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1528, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 - del x1528 - x1529 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1529 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVvv, (0, 2, 3, 4), (1, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1529, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * -2.0 - del x1529 - x1530 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1530 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOoo, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1530, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x1530 - x1531 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1531 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOvv, (1, 2, 3, 4), (0, 2, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1531, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * -2.0 - del x1531 - x1532 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1532 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 1, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1532, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 - del x1532 - x1533 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1533 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (0, 3, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1533, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 - del x1533 - x1534 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) - x1534 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.oOOV, (0, 2, 3, 4), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1534, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 - del x1534 - x1535 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) - x1535 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (0, 3, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1535, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 - del x1535 - x1536 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) - x1536 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 1, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1536, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 - del x1536 - x1537 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) - x1537 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vVOV, (1, 2, 3, 4), (3, 2, 4, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1537, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 - del x1537 - x1538 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1538 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.ooOV, (2, 0, 3, 4), (3, 4, 2, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1538, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 - del x1538 - x1539 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1539 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), v.aabb.vvOV, (2, 1, 3, 4), (3, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1539, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - del x1539 - x1540 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1540 += einsum(v.aabb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1540, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1540 - x1541 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1541 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1541, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1541 - x1542 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1542 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1542, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1542 - x1543 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1543 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.OOov, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1543, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x1543 - x1544 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1544 += einsum(v.aabb.OOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1544, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1544 - x1545 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1545 += einsum(v.aabb.vvov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 5, 2, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1545, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1545 - x1546 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1546 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.VVov, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1546, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * -2.0 - del x1546 - x1547 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1547 += einsum(v.aabb.VVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1547, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1547 - x1548 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1548 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1548, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -6.0 - del x1548 - x1549 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1549 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 1, 5), (4, 2, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1549, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) - del x1549 - x1550 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1550 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 5, 3), (4, 2, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1550, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1550 - x1551 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1551 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 5, 3), (4, 1, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1551, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1551 - x1552 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1552 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.oOov, (0, 4, 1, 5), (4, 2, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1552, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 - del x1552 - x1553 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1553 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 5, 3), (4, 0, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1553, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1553 - x1554 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1554 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 5, 3), (0, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1554, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1554 - x1555 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1555 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 1, 5), (4, 0, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1555, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) - del x1555 - x1556 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1556 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vVov, (2, 4, 1, 5), (0, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1556, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -1.0 - del x1556 - x1557 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1557 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1557, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1557 - x1558 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1558 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1558, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1558 - x1559 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1559 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 5, 6, 3), (0, 2, 4, 5, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1559, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) - x1560 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1560 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1560, (4, 5, 3, 6), (0, 1, 4, 2, 6, 5)) * -1.0 - del x1560 - x1561 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1561 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1561, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) - del x1561 - x1562 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1562 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 5, 6, 3), (0, 2, 1, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1562, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) - del x1562 - x1563 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1563 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (4, 3, 5, 6), (0, 2, 1, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1563, (4, 5, 6, 1, 3, 7), (0, 6, 4, 2, 7, 5)) * -1.0 - del x1563 - x1564 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1564 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 5, 6, 3), (0, 2, 1, 6, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1564, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * -1.0 - x1565 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1565 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x490, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) - del x490 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1565, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x1565 - x1566 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1566 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (0, 2, 4, 5), (5, 4, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1566, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1566 - x1567 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1567 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovoO, (4, 2, 0, 5), (5, 4, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1567, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1567 - x1568 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1568 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1568, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 - del x1568 - x1569 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1569 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1569, (4, 5, 6, 0, 1, 7), (6, 7, 4, 2, 3, 5)) * 2.0 - x1570 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1570 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x514, (4, 5, 6, 0), (4, 5, 6, 1, 2, 3)) - del x514 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1570, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x1570 - x1571 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1571 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 2, 4, 5), (5, 1, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1571, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1571 - x1572 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1572 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.aaaa.ovvV, (0, 4, 2, 5), (5, 1, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1572, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1572 - x1573 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1573 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1573, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * 2.0 - del x1573 - x1574 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1574 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 6), (1, 3, 0, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1574, (4, 5, 6, 0, 3, 7), (6, 1, 4, 2, 7, 5)) * -2.0 - x1575 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1575 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1575, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1575 - x1576 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1576 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (2, 0, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1576, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1576 - x1577 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1577 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 3), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1577, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1577 - x1578 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1578 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 3), (2, 0, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1578, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1578 - x1579 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1579 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 5, 3), (2, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1579, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1579 - x1580 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1580 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ooov, (4, 0, 1, 5), (2, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1580, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 - del x1580 - x1581 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1581 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1581, (4, 5, 3, 6), (0, 1, 4, 5, 6, 2)) - del x1581 - x1582 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1582 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (0, 2, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1582, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 - del x1582 - x1583 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1583 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 3, 4, 5), (2, 0, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1583, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 - del x1583 - x1584 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1584 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (1, 4, 5, 3), (2, 0, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1584, (4, 5, 3, 6), (5, 1, 0, 2, 6, 4)) - del x1584 - x1585 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1585 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 1, 5), (0, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1585, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) - del x1585 - x1586 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1586 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vvov, (4, 2, 5, 3), (0, 1, 5, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1586, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1586 - x1587 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1587 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovoo, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1587, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * 2.0 - del x1587 - x1588 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1588 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 4, 5, 1), (2, 5, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1588, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1588 - x1589 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1589 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1589, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 - del x1589 - x1590 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1590 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x532, (4, 5, 0, 6), (4, 2, 5, 1, 6, 3)) - del x532 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1590, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x1590 - x1591 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1591 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 4, 5, 3), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1591, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1591 - x1592 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1592 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x510, (4, 5, 6, 2), (0, 4, 5, 1, 6, 3)) - del x510 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1592, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x1592 - x1593 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1593 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovoo, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1593, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * 2.0 - del x1593 - x1594 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1594 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovoo, (4, 2, 5, 1), (0, 4, 5, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1594, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1594 - x1595 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1595 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (4, 2, 5, 3), (0, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1595, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1595 - x1596 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1596 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovvv, (1, 2, 4, 5), (3, 0, 4, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1596, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 - del x1596 - x1597 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1597 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 1, 3), (5, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1597, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -4.0 - del x1597 - x1598 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1598 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.aabb.vVov, (4, 5, 1, 3), (5, 0, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1598, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 4.0 - del x1598 - x1599 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1599 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 4, 1, 5, 6), (4, 6, 5, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1599, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) * -2.0 - del x1599 - x1600 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1600 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 1, 3, 6), (5, 6, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1600, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 - del x1600 - x1601 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[0], nvir[0]), dtype=np.float64) - x1601 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 6, 3, 7), (5, 7, 4, 2, 6, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1601, (4, 5, 6, 1, 7, 2), (0, 6, 4, 7, 3, 5)) * 2.0 - del x1601 - x1602 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1602 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 1, 6, 7), (5, 7, 4, 2, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1602, (4, 5, 6, 1, 7, 3), (0, 6, 4, 2, 7, 5)) * 2.0 - del x1602 - x1603 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1603 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 1, 6, 7), (5, 7, 4, 0, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1603, (4, 5, 6, 0, 7, 3), (6, 1, 4, 2, 7, 5)) * 2.0 - del x1603 - x1604 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1604 += einsum(v.aabb.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 1, 3, 7), (6, 7, 4, 0, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1604, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 - x1605 = np.zeros((naocc[1], navir[1], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1605 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 5, 0, 1, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1605, (2, 5, 6, 7, 0, 8), (6, 7, 1, 8, 3, 4)) - del x1605 - x1606 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1606 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 1, 6, 3), (5, 6, 4, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1606, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 - del x1606 - x1607 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1607 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1607, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 2.0 - del x1607 - x1608 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1608 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 4, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1608, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 - del x1608 - x1609 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1609 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x583, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) - del x583 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1609, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -3.0 - del x1609 - x1610 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1610 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 2, 4, 5, 6, 1), (4, 5, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1610, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -2.0 - del x1610 - x1611 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1611 += einsum(v.aabb.oVov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 5, 6, 3, 1), (5, 4, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1611, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 - del x1611 - x1612 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1612 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 5, 3), (2, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1612, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 - del x1612 - x1613 = np.zeros((navir[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1613 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oVov, (0, 4, 1, 5), (2, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1613, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (4, 5, 6, 7, 2, 0)) * 2.0 - del x1613 - x1614 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1614 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 2, 6, 0, 1, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1614, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) - del x1614 - x1615 = np.zeros((naocc[1], navir[0], navir[1], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1615 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (6, 2, 5, 0, 1, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1615, (2, 6, 5, 7, 8, 0), (7, 8, 1, 4, 3, 6)) * -1.0 - del x1615 - x1616 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1616 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 2, 1, 6, 3), (5, 4, 0, 6)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1616, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -2.0 - del x1616 - x1617 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) - x1617 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (4, 2, 5, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1617, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -2.0 - del x1617 - x1618 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) - x1618 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (5, 2, 4, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1618, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 - del x1618 - x1619 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1619 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 5, 3), (0, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1619, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x1619 - x1620 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1620 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 1, 0, 5, 6), (6, 4, 5, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1620, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -2.0 - del x1620 - x1621 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1621 += einsum(v.aabb.vOov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 0, 3, 6), (6, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1621, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 - del x1621 - x1622 = np.zeros((naocc[0], naocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1622 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.vOov, (2, 4, 1, 5), (0, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1622, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (4, 5, 0, 6, 2, 7)) * 2.0 - del x1622 - x1623 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1623 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 6, 1, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1623, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) - del x1623 - x1624 = np.zeros((naocc[0], naocc[1], navir[1], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1624 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 5, 1, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1624, (6, 2, 5, 7, 0, 8), (1, 7, 6, 8, 3, 4)) * -1.0 - del x1624 - x1625 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1625 += einsum(v.bbbb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 2, 1, 6, 3), (6, 5, 4, 0)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1625, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -2.0 - del x1625 - x1626 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) - x1626 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1626, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -2.0 - del x1626 - x1627 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) - x1627 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 4, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1627, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 - del x1627 - x1628 = np.zeros((naocc[0], naocc[0], navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1628 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.OVov, (4, 5, 6, 3), (0, 4, 2, 5, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 1, 2, 3, 4, 5), x1628, (6, 2, 7, 5, 8, 1), (0, 8, 6, 3, 4, 7)) * -2.0 - del x1628 - x1629 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1629 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (0, 5, 2, 6, 1, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1629, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) * -1.0 - del x1629 - x1630 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[1], nocc[1]), dtype=np.float64) - x1630 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (4, 5, 3, 6), (0, 6, 2, 5, 1, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1630, (6, 2, 7, 5, 8, 0), (1, 8, 6, 4, 3, 7)) - del x1630 - x1631 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1631 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (1, 3, 4, 5), (0, 4, 2, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1631, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 2.0 - del x1631 - x1632 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1632 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.oVvO, (1, 4, 3, 5), (0, 5, 2, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1632, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 - del x1632 - x1633 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1633 += einsum(x37, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 2, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 - del x37 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1633, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1633 - x1634 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1634 += einsum(v.aaaa.ovov, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 1, 6, 7), (5, 7, 0, 4, 3, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1634, (4, 5, 1, 6, 3, 7), (0, 6, 4, 2, 7, 5)) * -4.0 - del x1634 - x1635 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1635 += einsum(x18, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1635, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1635 - x1636 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1636 += einsum(x111, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 3, 0, 5)) * -1.0 - del x111 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1636, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1636 - x1637 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1637 += einsum(x183, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1637, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1637 - x1638 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1638 += einsum(v.aaaa.ovoV, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 1, 6, 3), (5, 0, 4, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1638, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 - del x1638 - x1639 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1639 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 3, 2, 5, 6), (6, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1639, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1639 - x1640 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1640 += einsum(x608, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (3, 4, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x608 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1640, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x1640 - x1641 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1641 += einsum(v.aaaa.ovvO, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (0, 4, 3, 1, 5, 6), (6, 4, 2, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1641, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1641 - x1642 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1642 += einsum(x615, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) - del x615 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1642, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x1642 - x1643 = np.zeros((naocc[0], naocc[1], navir[0], navir[1], nocc[0], nocc[0]), dtype=np.float64) - x1643 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (4, 2, 5, 6), (1, 5, 3, 6, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x1643, (6, 2, 7, 5, 8, 1), (8, 0, 6, 4, 3, 7)) * -4.0 - del x1643 - x1644 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1644 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (0, 2, 4, 5), (1, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1644, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * 4.0 - del x1644 - x1645 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0], nocc[0], nvir[0]), dtype=np.float64) - x1645 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (4, 3, 5, 6), (1, 5, 6, 0, 4, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (0, 1, 2, 3, 4, 5), x1645, (6, 2, 5, 7, 1, 8), (7, 0, 6, 8, 3, 4)) * 4.0 - del x1645 - x1646 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) - x1646 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (0, 3, 4, 5), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1646, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * -4.0 - del x1646 - x1647 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1647 += einsum(v.aabb.ovOV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 2, 6, 1, 3), (5, 0, 4, 6)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1647, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 4.0 - del x1647 - x1648 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) - x1648 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), v.aabb.ovOV, (1, 2, 4, 5), (4, 3, 5, 0)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1648, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * -4.0 - del x1648 - x1649 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1649 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), v.aabb.ovOV, (1, 3, 4, 5), (4, 5, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1649, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * 4.0 - del x1649 - x1650 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1650 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x656, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x656 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1650, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1650 - x1651 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1651 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x653, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x653 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1651, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1651 - x1652 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1652 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x686, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x686 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1652, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1652 - x1653 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1653 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x683, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x683 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1653, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1653 - x1654 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1654 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovoo, (0, 3, 4, 5), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1654, (4, 5, 1, 6), (0, 6, 4, 2, 3, 5)) - del x1654 - x1655 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1655 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), t1.aa[np.ix_(sOa,sva)], (2, 3), v.aabb.ovvv, (0, 3, 4, 5), (2, 1, 4, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1655, (4, 5, 3, 6), (0, 1, 4, 2, 6, 5)) * -1.0 - del x1655 - x1656 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1656 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovoo, (2, 1, 3, 4), (0, 2, 3, 4)) - x1657 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1657 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1656, (2, 0, 3, 4), (2, 4, 3, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1657, (4, 1, 5, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1657 - x1658 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1658 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovvv, (2, 1, 3, 4), (0, 2, 3, 4)) - x1659 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1659 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1658, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1659, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1659 - x1660 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1660 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x640, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x640 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1660, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1660 - x1661 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1661 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x646, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x646 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1661, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1661 - x1662 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1662 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x666, (4, 5, 6, 2), (0, 4, 6, 5, 1, 3)) - del x666 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1662, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1662 - x1663 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1663 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x663, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x663 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1663, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1663 - x1664 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1664 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovoo, (0, 2, 3, 4), (1, 3, 4, 2)) - x1665 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1665 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1664, (2, 3, 4, 1), (2, 0, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1665, (4, 5, 1, 6), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1665 - x1666 = np.zeros((navir[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1666 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovvv, (0, 2, 3, 4), (1, 2, 3, 4)) - x1667 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1667 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1666, (2, 1, 3, 4), (2, 0, 4, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1667, (4, 5, 3, 6), (5, 1, 0, 2, 6, 4)) - del x1667 - x1668 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1668 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x151, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1668, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1668 - x1669 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1669 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1482, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) - del x1482 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1669, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1669 - x1670 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1670 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x403, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1670, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1670 - x1671 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1671 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x403, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x403 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1671, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1671 - x1672 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1672 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x409, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1672, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1672 - x1673 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1673 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x409 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1673, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1673 - x1674 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1674 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.oOov, (2, 3, 4, 1), (3, 2, 0, 4)) - x1675 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1675 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1674, (2, 0, 3, 4), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1675, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1675 - x1676 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1676 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.oOov, (4, 5, 6, 3), (5, 2, 0, 4, 1, 6)) - x1677 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1677 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1676, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1676 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1677, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1677 - x1678 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1678 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x407, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1678, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1678 - x1679 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1679 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x407, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) - del x407 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1679, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1679 - x1680 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1680 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x401, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1680, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1680 - x1681 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1681 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x401, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) - del x401 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1681, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1681 - x1682 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1682 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.aabb.vVov, (2, 3, 4, 1), (3, 0, 4, 2)) - x1683 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1683 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1682, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1683, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1683 - x1684 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1684 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x405, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) - del x405 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1684, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1684 - x1685 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1685 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x156, (4, 5, 6, 1), (0, 2, 5, 4, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1685, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1685 - x1686 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1686 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1559, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1559 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1686, (2, 3, 0, 4, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1686 - x1687 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1687 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1564, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x1564 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1687, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1687 - x1688 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1688 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x151, (4, 0, 5, 6), (1, 3, 4, 6, 5, 2)) - del x151 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1688, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1688 - x1689 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1689 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1574, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) - del x1574 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1689, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1689 - x1690 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1690 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1569, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1569 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1690, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1690 - x1691 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1691 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1666, (2, 3, 4, 1), (2, 0, 3, 4)) - del x1666 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1691, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1691 - x1692 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1692 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1664, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 - del x1664 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1692, (2, 3, 4, 0, 5, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1692 - x1693 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1693 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1658, (2, 3, 4, 1), (2, 3, 0, 4)) - del x1658 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1693, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1693 - x1694 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1694 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1656, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1656 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1694, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1694 - x1695 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1695 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1674, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1674 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1695, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1695 - x1696 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1696 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x156, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - del x156 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1696, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1696 - x1697 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1697 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x462, (2, 3, 4, 5, 6, 1), (2, 3, 4, 0, 5, 6)) - del x462 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1697, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1697 - x1698 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1698 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1682, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1682 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1698, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1698 - x1699 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1699 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 3, 6, 7), (5, 7, 0, 2, 4, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1699, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1699 - x1700 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1700 += einsum(x35, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 4, 5, 3, 6, 7), (5, 7, 0, 1, 4, 6)) - del x35 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1700, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1700 - x1701 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1701 += einsum(x11, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1701, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1701 - x1702 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1702 += einsum(x12, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1702, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1702 - x1703 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1703 += einsum(x738, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 3, 7, 1), (6, 0, 4, 2, 5, 7)) - del x738 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1703, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1703 - x1704 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1704 += einsum(x748, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) - del x748 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1704, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1704 - x1705 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1705 += einsum(x745, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 3, 6, 7), (0, 7, 4, 2, 5, 6)) - del x745 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1705, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1705 - x1706 = np.zeros((naocc[0], naocc[1], navir[1], nocc[0]), dtype=np.float64) - x1706 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.ovOV, (2, 1, 3, 4), (0, 3, 4, 2)) - x1707 = np.zeros((naocc[0], naocc[1], navir[0], navir[1]), dtype=np.float64) - x1707 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 1, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1707, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 5, 1, 6, 7, 3), (5, 4, 0, 7, 6, 2)) * -2.0 - del x1707 - x1708 = np.zeros((naocc[0], naocc[1], navir[1], nvir[0]), dtype=np.float64) - x1708 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1706, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1706 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1708, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sVa,sVfb)], (4, 5, 1, 6, 7, 2), (5, 4, 0, 3, 6, 7)) * 2.0 - del x1708 - x1709 = np.zeros((naocc[1], navir[0], navir[1], nvir[0]), dtype=np.float64) - x1709 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.ovOV, (0, 2, 3, 4), (3, 1, 4, 2)) - x1710 = np.zeros((naocc[1], navir[0], navir[1], nocc[0]), dtype=np.float64) - x1710 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1709, (2, 3, 4, 1), (2, 3, 4, 0)) - del x1709 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1710, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sva,sVfb)], (4, 5, 0, 6, 7, 2), (3, 4, 5, 7, 6, 1)) * 2.0 - del x1710 - x1711 = np.zeros((naocc[1], navir[1], nocc[0], nvir[0]), dtype=np.float64) - x1711 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x166, (2, 3, 4, 0), (2, 3, 4, 1)) - del x166 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1711, (0, 1, 2, 3), t3.babbab[np.ix_(sob,sOa,sOfb,svb,sVa,sVfb)], (4, 5, 0, 6, 7, 1), (2, 4, 5, 3, 6, 7)) * -2.0 - del x1711 - x1712 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1712 += einsum(x33, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (1, 4, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1712, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1712 - x1713 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1713 += einsum(x13, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 3, 6, 7), (5, 7, 4, 0, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1713, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1713 - x1714 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1714 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1604, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1604 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1714, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1714 - x1715 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1715 += einsum(x15, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 1, 5, 6), (4, 6, 2, 0, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1715, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1715 - x1716 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1716 += einsum(x0, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1716, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1716 - x1717 = np.zeros((navir[0], navir[0], nocc[1], nvir[1]), dtype=np.float64) - x1717 += einsum(t1.aa[np.ix_(soa,sVa)], (0, 1), v.aabb.oVov, (0, 2, 3, 4), (1, 2, 3, 4)) - x1718 = np.zeros((navir[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1718 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1717, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1718, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 5, 6, 7, 1), (4, 2, 5, 6, 7, 0)) * 2.0 - del x1718 - x1719 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1719 += einsum(x1717, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x1717 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1719, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1719 - x1720 = np.zeros((naocc[0], naocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1720 += einsum(t1.aa[np.ix_(sOa,sva)], (0, 1), v.aabb.vOov, (1, 2, 3, 4), (0, 2, 3, 4)) - x1721 = np.zeros((naocc[0], naocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1721 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1720, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1721, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 3, 1, 5, 6, 7), (4, 2, 0, 5, 6, 7)) * 2.0 - del x1721 - x1722 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1722 += einsum(x1720, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x1720 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1722, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1722 - x1723 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1723 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1723, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1723 - x1724 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1724 += einsum(x16, (0, 1, 2, 3), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1724, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1724 - x1725 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1725 += einsum(x1, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1725, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1725 - x1726 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1726 += einsum(x20, (0, 1), t3.abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1726, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1726 - x1727 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1727 += einsum(x13, (0, 1, 2, 3), t3.aaaaaa[np.ix_(soa,soa,sOfa,sva,sva,sVfa)], (4, 0, 5, 6, 3, 7), (5, 7, 4, 1, 2, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1727, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -6.0 - del x1727 - x1728 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1728 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 0, 1, 5), (4, 2, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1728, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) - del x1728 - x1729 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1729 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 0, 5, 3), (4, 2, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1729, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1729 - x1730 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1730 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 0, 5, 3), (4, 1, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1730, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1730 - x1731 = np.zeros((naocc[0], nvir[0], nvir[1], nvir[1]), dtype=np.float64) - x1731 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x716, (4, 0, 1, 5), (4, 2, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1731, (4, 5, 6, 3), (0, 1, 4, 5, 6, 2)) * -1.0 - del x1731 - x1732 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1732 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 5, 2, 3), (4, 0, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1732, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1732 - x1733 = np.zeros((naocc[0], navir[0], nvir[1], nvir[1]), dtype=np.float64) - x1733 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 2, 5), (0, 4, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1733, (4, 5, 6, 3), (0, 1, 4, 2, 6, 5)) - del x1733 - x1734 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1734 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 5, 2, 3), (0, 4, 1, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1734, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1734 - x1735 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1735 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x713, (4, 1, 2, 5), (4, 0, 3, 5)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1735, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 - del x1735 - x1736 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1736 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1513, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1736, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) - x1737 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1737 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x792, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x792 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1737, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1737 - x1738 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1738 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x176, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1738, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1738 - x1739 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1739 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1513, (4, 5, 6, 7, 1, 2), (4, 5, 0, 6, 7, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1739, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1739 - x1740 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1740 += einsum(x0, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1740, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1740 - x1741 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1741 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x798, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x798 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1741, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1741 - x1742 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1742 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x802, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x802 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1742, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1742 - x1743 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1743 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x361, (4, 5, 6, 7, 0, 2), (4, 5, 6, 7, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1743, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1743 - x1744 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1744 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x361, (4, 5, 6, 0, 7, 2), (4, 5, 6, 7, 1, 3)) - del x361 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1744, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1744 - x1745 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1745 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x856, (4, 5, 6, 0), (4, 5, 6, 1, 2, 3)) * -1.0 - del x856 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1745, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1745, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x1745 - x1746 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1746 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 0, 5, 2), (4, 1, 5, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1746, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1746 - x1747 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1747 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x375, (4, 0, 2, 5), (4, 1, 5, 3)) - del x375 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1747, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -2.0 - del x1747 - x1748 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1748 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x874, (4, 5, 6, 2), (4, 5, 0, 1, 6, 3)) * -1.0 - del x874 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1748, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1748, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) - del x1748 - x1749 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1749 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x389, (4, 5, 0, 2), (4, 5, 1, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1749, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1749 - x1750 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1750 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x389, (4, 0, 5, 2), (4, 5, 1, 3)) - del x389 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1750, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1750 - x1751 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1751 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 4, 5, 3), (2, 1, 5, 4)) - x1752 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1752 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1751, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1752, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1752 - x1753 = np.zeros((navir[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1753 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x33, (4, 0, 1, 5), (2, 4, 3, 5)) - del x33 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1753, (4, 5, 6, 3), (5, 1, 0, 2, 6, 4)) * -1.0 - del x1753 - x1754 = np.zeros((naocc[0], nocc[0], nvir[1], nvir[1]), dtype=np.float64) - x1754 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 1, 5), (0, 4, 3, 5)) - x1755 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1755 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1754, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) - del x1754 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1755, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1755 - x1756 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1756 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (4, 2, 5, 3), (0, 4, 1, 5)) - x1757 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1757 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1756, (2, 0, 3, 4), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1757, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1757 - x1758 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1758 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x778, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x778 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1758, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1758 - x1759 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1759 += einsum(x0, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1759, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1759 - x1760 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1760 += einsum(x0, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1760, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1760 - x1761 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1761 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x830, (4, 5, 0, 6), (4, 2, 5, 1, 6, 3)) * -1.0 - del x830 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1761, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1761, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x1761 - x1762 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1762 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x817, (4, 5, 6, 2), (0, 4, 5, 1, 6, 3)) * -1.0 - del x817 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1762, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(x1762, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -1.0 - del x1762 - x1763 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1763 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x814, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x814 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1763, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1763 - x1764 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1764 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x809, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x809 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1764, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -2.0 - del x1764 - x1765 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1765 += einsum(x11, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - del x11 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1765, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1765 - x1766 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1766 += einsum(x12, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - del x12 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1766, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1766 - x1767 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1767 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 7, 1, 3), (4, 5, 6, 7, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1767, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -4.0 - del x1767 - x1768 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1768 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x713, (4, 1, 5, 3), (4, 0, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1768, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * -4.0 - del x1768 - x1769 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1769 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x716, (4, 5, 1, 3), (4, 5, 0, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1769, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -4.0 - del x1769 - x1770 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1770 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x564, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1770, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1770 - x1771 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1771 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x565, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1771, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1771 - x1772 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1772 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x564, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x564 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1772, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1772 - x1773 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1773 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x565, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x565 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1773, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1773 - x1774 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1774 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 6, 3), (0, 2, 1, 4, 6, 5)) - x1775 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1775 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1774, (4, 5, 6, 7, 1, 3), (4, 5, 0, 6, 7, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1775, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1775 - x1776 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1776 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1774, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 7, 2)) - del x1774 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1776, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1776 - x1777 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1777 += einsum(x1, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1777, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -1.0 - del x1777 - x1778 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1778 += einsum(x20, (0, 1), t2.abab[np.ix_(sOa,sob,sVa,svb)], (2, 3, 4, 1), (2, 4, 3, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1778, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1778 - x1779 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1779 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x582, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1779, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) * -2.0 - del x1779 - x1780 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1780 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x771, (2, 3, 4, 5, 6, 1), (2, 3, 4, 5, 0, 6)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1780, (4, 5, 6, 0, 7, 1), (6, 7, 4, 2, 3, 5)) * 2.0 - x1781 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1781 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x176, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - del x176 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1781, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1781 - x1782 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1782 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x582, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x582 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1782, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1782 - x1783 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1783 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x771, (4, 5, 6, 0, 7, 3), (4, 5, 6, 1, 7, 2)) - del x771 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1783, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1783 - x1784 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1784 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 1, 5, 3), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1784, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1784 - x1785 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1785 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x552, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1785, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1785 - x1786 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1786 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x16, (4, 5, 1, 3), (0, 4, 5, 2)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1786, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1786 - x1787 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1787 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x550, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1787, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1787 - x1788 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1788 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x557, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) - del x557 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1788, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1788 - x1789 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1789 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x559, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) - del x559 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1789, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1789 - x1790 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1790 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x552, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) - del x552 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1790, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1790 - x1791 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1791 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x550, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) - del x550 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1791, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1791 - x1792 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1792 += einsum(x1, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1792, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) - del x1792 - x1793 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1793 += einsum(x20, (0, 1), t2.abab[np.ix_(soa,sob,sVa,svb)], (2, 3, 4, 1), (4, 2, 3, 0)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1793, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1793 - x1794 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1794 += einsum(x1, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1794, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) - del x1794 - x1795 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1795 += einsum(x20, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1795, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1795 - x1796 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1796 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x13, (0, 4, 5, 3), (1, 4, 5, 2)) * -1.0 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1796, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * 2.0 - del x1796 - x1797 = np.zeros((navir[0], nocc[1], nvir[0], nvir[1]), dtype=np.float64) - x1797 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x13, (0, 4, 1, 5), (2, 4, 5, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1797, (4, 5, 3, 6), (0, 5, 1, 2, 6, 4)) * 2.0 - del x1797 - x1798 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1798 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x577, (4, 5, 6, 3), (4, 2, 0, 1, 5, 6)) - del x577 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1798, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1798 - x1799 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1799 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1751, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1751 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1799, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1799 - x1800 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1800 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x573, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1800, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * 2.0 - del x1800 - x1801 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1801 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x13, (4, 5, 1, 2), (0, 4, 5, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1801, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1801 - x1802 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1802 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1756, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1756 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1802, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1802 - x1803 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1803 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x573, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) - del x573 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1803, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1803 - x1804 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1804 += einsum(x15, (0, 1), t2.abab[np.ix_(sOa,sob,sva,svb)], (2, 3, 1, 4), (2, 0, 3, 4)) - del x15 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1804, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * -2.0 - del x1804 - x1805 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1805 += einsum(t2.aaaa[np.ix_(soa,soa,sva,sva)], (0, 1, 2, 3), x1513, (4, 5, 1, 6, 7, 3), (4, 5, 0, 6, 7, 2)) - del x1513 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1805, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1805 - x1806 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1806 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x904, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x904 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1806, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1806 - x1807 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1807 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x907, (4, 5, 6, 2), (4, 5, 0, 6, 1, 3)) - del x907 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1807, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1807 - x1808 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1808 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x888, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x888 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1808, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1808 - x1809 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1809 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x893, (4, 5, 6, 2), (0, 4, 5, 6, 1, 3)) - del x893 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1809, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1809 - x1810 = np.zeros((naocc[0], navir[0], nocc[1], nocc[1]), dtype=np.float64) - x1810 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x719, (2, 3, 4, 1), (2, 3, 0, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1810, (4, 5, 6, 1), (0, 6, 4, 2, 3, 5)) - del x1810 - x1811 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1811 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x719, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x719 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1811, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) - del x1811 - x1812 = np.zeros((naocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1812 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x716, (2, 3, 4, 1), (2, 3, 0, 4)) - x1813 = np.zeros((naocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1813 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1812, (2, 0, 3, 4), (2, 3, 4, 1)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x1813, (4, 5, 1, 6), (0, 5, 4, 6, 3, 2)) * -1.0 - del x1813 - x1814 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1814 += einsum(t2.abab[np.ix_(soa,sob,sVa,svb)], (0, 1, 2, 3), x716, (4, 5, 6, 3), (4, 2, 0, 5, 1, 6)) - del x716 - x1815 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1815 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1814, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1814 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1815, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * -1.0 - del x1815 - x1816 = np.zeros((navir[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1816 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x713, (2, 3, 4, 1), (2, 0, 3, 4)) - del x713 - x1817 = np.zeros((navir[0], nocc[0], nocc[1], nocc[1]), dtype=np.float64) - x1817 += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1816, (2, 3, 4, 1), (2, 0, 3, 4)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x1817, (4, 5, 6, 1), (5, 6, 0, 2, 3, 4)) * -1.0 - del x1817 - x1818 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1818 += einsum(t2.abab[np.ix_(sOa,sob,sva,svb)], (0, 1, 2, 3), x714, (4, 5, 6, 3), (0, 4, 5, 1, 6, 2)) - del x714 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1818, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -1.0 - del x1818 - x1819 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1819 += einsum(t2.abab[np.ix_(sOa,sob,sVa,svb)], (0, 1, 2, 3), x197, (4, 5, 6, 1), (0, 2, 4, 5, 6, 3)) - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1819, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1819 - x1820 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1820 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1736, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1736 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1820, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) - del x1820 - x1821 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1821 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sVa)], (0, 1, 2, 3), x197, (4, 0, 5, 6), (1, 3, 4, 5, 6, 2)) - del x197 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1821, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * 2.0 - del x1821 - x1822 = np.zeros((naocc[0], navir[0], nocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1822 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1780, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1780 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.aa[np.ix_(soa,sva)], (0, 1), x1822, (2, 3, 4, 0, 5, 6), (4, 5, 2, 1, 6, 3)) * 2.0 - del x1822 - x1823 = np.zeros((naocc[0], navir[0], nocc[0], nocc[1], nocc[1], nvir[0]), dtype=np.float64) - x1823 += einsum(t2.aaaa[np.ix_(soa,sOa,sva,sva)], (0, 1, 2, 3), x1816, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1816 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1823, (2, 3, 4, 5, 0, 6), (4, 5, 2, 6, 1, 3)) * -2.0 - del x1823 - x1824 = np.zeros((naocc[0], nocc[0], nocc[1], nvir[1]), dtype=np.float64) - x1824 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1812, (2, 3, 4, 0), (2, 3, 4, 1)) - del x1812 - t3new_abaaba[np.ix_(soa,sob,sOfa,sva,svb,sVfa)] += einsum(t2.aaaa[np.ix_(soa,soa,sva,sVa)], (0, 1, 2, 3), x1824, (4, 1, 5, 6), (0, 5, 4, 2, 6, 3)) * 2.0 - del x1824 - x1825 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1825 += einsum(f.bb.oo, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1825, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1825, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x1825 - x1826 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1826 += einsum(f.bb.vv, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1826, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1826 - x1827 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1827 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.oovO, (4, 1, 5, 6), (6, 3, 0, 4, 2, 5)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1827, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1827, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1827, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1827, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1827 - x1828 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1828 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ooOV, (4, 1, 5, 6), (5, 6, 0, 4, 2, 3)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1828, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1828, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1828 - x1829 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1829 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 5, 1, 6), (6, 3, 0, 4, 2, 5)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1829, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1829, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1829, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1829, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x1829 - x1830 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1830 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oOoV, (1, 4, 5, 6), (4, 6, 0, 5, 2, 3)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1830, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1830, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1830 - x1831 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1831 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oooV, (4, 0, 5, 6), (1, 6, 5, 4, 2, 3)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1831, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1831, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1831 - x1832 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1832 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 0, 5, 6), (1, 3, 4, 5, 2, 6)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1832, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1832, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1832, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1832, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1832 - x1833 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1833 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 5, 3, 6), (1, 6, 0, 4, 2, 5)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1833, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1833, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x1833 - x1834 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1834 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oVvv, (4, 5, 6, 3), (1, 5, 0, 4, 2, 6)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1834, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1834, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1834, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1834, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1834 - x1835 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1835 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.vvvO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1835, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x1835 - x1836 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1836 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vvOV, (4, 3, 5, 6), (5, 6, 0, 1, 2, 4)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1836, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1836, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1836 - x1837 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1837 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.vOvV, (4, 5, 3, 6), (5, 6, 0, 1, 2, 4)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1837, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x1837 - x1838 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1838 += einsum(v.aabb.ovoV, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 7, 3, 4, 2, 6)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1838, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1838, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * -2.0 - del x1838 - x1839 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1839 += einsum(v.aabb.ovvO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 6, 2)) - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1839, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 - del x1839 - x1840 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1840 += einsum(v.bbbb.ooOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 3, 5, 6, 7), (2, 7, 4, 0, 5, 6)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1840, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1840, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1840 - x1841 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1841 += einsum(v.bbbb.oovv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 6, 2)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1841, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1841, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x1841 - x1842 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1842 += einsum(v.bbbb.ooVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 7, 3), (5, 2, 4, 0, 6, 7)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1842, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1842, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1842 - x1843 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1843 += einsum(v.bbbb.oVoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 7, 3), (5, 1, 4, 0, 6, 7)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1843, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1843, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1843 - x1844 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1844 += einsum(v.bbbb.vOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 6, 0)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1844, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x1844 - x1845 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1845 += einsum(v.bbbb.vvOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 6, 0)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1845, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x1845 - x1846 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1846 += einsum(v.bbbb.vvVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 7, 0)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1846, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x1846 - x1847 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1847 += einsum(x4, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 0, 3, 4, 5, 6), (3, 6, 1, 2, 4, 5)) - del x4 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1847, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1847, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x1847 - x1848 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1848 += einsum(f.bb.ov, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 0, 2, 3, 5)) - x1849 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1849 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1848, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) - del x1848 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1849, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1849 - x1850 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1850 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x926, (4, 5, 1, 6), (4, 5, 6, 0, 2, 3)) - del x926 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1850, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1850, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x1850 - x1851 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1851 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x220, (0, 4, 5, 6), (1, 3, 4, 5, 2, 6)) - del x220 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1851, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x1851 - x1852 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1852 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x927, (4, 1, 5, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x927 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1852, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1852, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1852, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1852, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x1852 - x1853 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1853 += einsum(f.bb.ov, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 0, 2, 3)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1853, (4, 0, 5, 6), (6, 5, 1, 2, 3, 4)) * 4.0 - del x1853 - x1854 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1854 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x942, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x942 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1854, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1854, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1854, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1854, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1854 - x1855 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1855 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x943, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x943 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1855, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1855, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1855 - x1856 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1856 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x945, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x945 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1856, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1856, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1856, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1856, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1856 - x1857 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1857 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x171, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x171 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1857, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1857, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1857 - x1858 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1858 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovvO, (4, 2, 5, 6), (6, 3, 0, 1, 4, 5)) * -1.0 - x1859 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1859 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1858, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1858 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1859, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1859 - x1860 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1860 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovOV, (4, 3, 5, 6), (5, 6, 0, 1, 4, 2)) - x1861 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1861 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1860, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1860 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1861, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1861 - x1862 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1862 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x947, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x947 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1862, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1862, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1862 - x1863 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1863 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x948, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x948 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1863, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1863, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1863, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1863 - x1864 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1864 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.oOvV, (4, 5, 3, 6), (5, 6, 0, 1, 4, 2)) - x1865 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1865 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1864, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1864 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1865, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1865 - x1866 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1866 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.oOvv, (4, 5, 6, 2), (5, 3, 0, 1, 4, 6)) * -1.0 - x1867 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1867 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1866, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1866 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1867, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1867 - x1868 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1868 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.oovV, (2, 3, 1, 4), (4, 0, 2, 3)) - x1869 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1869 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1868, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x1868 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1869, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1869, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1869 - x1870 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1870 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x222, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x222 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1870, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1870, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1870, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1870, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1870 - x1871 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1871 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oooo, (4, 5, 6, 0), (1, 3, 4, 5, 6, 2)) - x1872 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1872 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1871, (2, 3, 0, 4, 5, 6), (2, 3, 4, 5, 1, 6)) - del x1871 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1872, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1872, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1872, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1872, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1872 - x1873 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1873 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.oovV, (4, 5, 3, 6), (1, 6, 0, 4, 5, 2)) * -1.0 - x1874 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1874 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1873, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x1873 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1874, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1874, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1874, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1874, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1874 - x1875 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1875 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.oovv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x1876 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1876 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1875, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x1875 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1876, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1876, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1876, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1876, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1876 - x1877 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1877 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), v.bbbb.ovoV, (2, 1, 3, 4), (4, 0, 3, 2)) - x1878 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1878 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1877, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x1877 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1878, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1878, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1878 - x1879 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1879 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x16, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1879, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1879, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x1879 - x1880 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1880 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoV, (4, 3, 5, 6), (1, 6, 0, 5, 4, 2)) * -1.0 - x1881 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1881 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1880, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1880 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1881, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1881, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1881, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1881, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1881 - x1882 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1882 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1882, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1882, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1882 - x1883 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1883 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x954, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) - del x954 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1883, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1883, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1883 - x1884 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1884 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x955, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x955 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1884, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1884, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1884 - x1885 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1885 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x957, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x957 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1885, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1885 - x1886 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1886 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x958, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x958 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1886, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1886, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1886 - x1887 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1887 += einsum(t1.bb[np.ix_(sob,sVb)], (0, 1), v.bbbb.oooo, (2, 3, 4, 0), (1, 2, 3, 4)) - x1888 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1888 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1887, (4, 5, 0, 6), (1, 4, 6, 5, 2, 3)) * -1.0 - del x1887 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1888, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1888, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1888 - x1889 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1889 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x960, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x960 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1889, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1889, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1889, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1889, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1889 - x1890 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1890 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1890, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1890, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x1890 - x1891 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1891 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x963, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 - del x963 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1891, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1891, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1891, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1891, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x1891 - x1892 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1892 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x964, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) * -1.0 - del x964 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1892, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1892, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x1892 - x1893 = np.zeros((naocc[1], navir[1], nocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1893 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.vvvv, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x1894 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1894 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1893, (2, 3, 4, 1, 5, 6), (2, 3, 0, 4, 5, 6)) - del x1893 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1894, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1894, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1894, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1894, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1894 - x1895 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1895 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x970, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x970 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1895, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1895, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1895 - x1896 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1896 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x972, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x972 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1896, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1896, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1896, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1896, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1896 - x1897 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1897 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x974, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x974 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1897, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1897, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1897 - x1898 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1898 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1898, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1898, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x1898 - x1899 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1899 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x976, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x976 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1899, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1899, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x1899 - x1900 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1900 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x977, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x977 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1900, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1900 - x1901 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1901 += einsum(t1.bb[np.ix_(sOb,svb)], (0, 1), v.bbbb.vvvv, (2, 3, 4, 1), (0, 2, 3, 4)) - x1902 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1902 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1901, (4, 5, 2, 6), (4, 3, 0, 1, 6, 5)) * -1.0 - del x1901 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1902, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1902 - x1903 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1903 += einsum(x6, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) - del x6 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1903, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1903, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1903 - x1904 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1904 += einsum(x5, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) - del x5 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1904, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x1904 - x1905 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1905 += einsum(x140, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 2, 7), (5, 7, 1, 4, 6, 3)) - del x140 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1905, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1905, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x1905 - x1906 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1906 += einsum(x1201, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 2, 4, 6)) - del x1201 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1906, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 1, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1906, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 1, 2)) * -2.0 - del x1906 - x1907 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1907 += einsum(v.aabb.ovoO, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 3, 7, 4, 2, 6)) - x1908 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1908 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1907, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1907 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 4, 5, 2)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1908, (0, 1, 2, 3, 4, 5), (3, 0, 1, 5, 4, 2)) * 2.0 - del x1908 - x1909 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1909 += einsum(v.aabb.ovoo, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 1, 7), (5, 7, 4, 2, 3, 6)) - x1910 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1910 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1909, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x1909 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1910, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1910, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1910, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1910, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1910 - x1911 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1911 += einsum(x1210, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 4, 2, 6)) - del x1210 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1911, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1911, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 - del x1911 - x1912 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1912 += einsum(x1215, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 6, 3)) - del x1215 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1912, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 - del x1912 - x1913 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1913 += einsum(x234, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 7), (4, 7, 0, 1, 5, 6)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1913, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1913, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x1913 - x1914 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1914 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 4, 0, 1, 6)) - x1915 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1915 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1914, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x1914 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1915, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1915, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1915, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1915 - x1916 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1916 += einsum(v.bbbb.ooov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 4, 0, 2, 6)) - x1917 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1917 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1916, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1916 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1917, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1917, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1917, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1917 - x1918 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1918 += einsum(x7, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) - del x7 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1918, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1918, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1918 - x1919 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1919 += einsum(x8, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 2, 0, 4, 5)) - del x8 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1919, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1919, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1919 - x1920 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1920 += einsum(x1005, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x1005 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1920, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1920, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x1920 - x1921 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1921 += einsum(x160, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 6, 2)) - del x160 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1921, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1921, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - del x1921 - x1922 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1922 += einsum(x161, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 2, 7), (5, 7, 0, 4, 6, 3)) - del x161 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1922, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1922, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - del x1922 - x1923 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1923 += einsum(x1006, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x1006 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1923, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1923, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x1923 - x1924 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1924 += einsum(x1007, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 0), (5, 1, 2, 4, 6, 7)) - del x1007 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1924, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1924, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x1924 - x1925 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1925 += einsum(v.bbbb.ovOO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 1, 7), (2, 7, 4, 5, 0, 6)) - x1926 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1926 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1925, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1925 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1926, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1926 - x1927 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1927 += einsum(v.bbbb.oOvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 6, 2, 7), (1, 7, 4, 5, 0, 6)) - x1928 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1928 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1927, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1927 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1928, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1928 - x1929 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1929 += einsum(v.bbbb.ovvv, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 - x1930 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1930 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1929, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1929 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1930, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1930 - x1931 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1931 += einsum(v.bbbb.ovVV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 1, 3), (6, 2, 4, 5, 0, 7)) - x1932 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1932 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1931, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x1931 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1932, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1932 - x1933 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1933 += einsum(x10, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 5, 0)) - del x10 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1933, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x1933 - x1934 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1934 += einsum(x9, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 0, 6), (4, 6, 2, 3, 5, 1)) - del x9 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1934, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x1934 - x1935 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1935 += einsum(x1015, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 7, 1), (5, 0, 4, 3, 6, 7)) - del x1015 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1935, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1935, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x1935 - x1936 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1936 += einsum(x1016, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 4, 2, 6, 7)) - del x1016 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1936, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1936, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1936 - x1937 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1937 += einsum(x1020, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 7, 2)) - del x1020 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1937, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x1937 - x1938 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1938 += einsum(x1023, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 4, 2, 5, 6)) - del x1023 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1938, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1938, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x1938 - x1939 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1939 += einsum(x1025, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 6, 2)) - del x1025 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1939, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - del x1939 - x1940 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1940 += einsum(x1026, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 2, 7), (0, 7, 4, 5, 6, 3)) - del x1026 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1940, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - del x1940 - x1941 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1941 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1034, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1034 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1941, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1941, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1941, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1941, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1941 - x1942 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1942 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1031, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1031 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1942, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1942, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1942 - x1943 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1943 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x232, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x232 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1943, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1943, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1943, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1943, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1943 - x1944 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1944 += einsum(t2.abab[np.ix_(soa,sob,sva,sVb)], (0, 1, 2, 3), v.aabb.ovoo, (0, 2, 4, 5), (3, 1, 4, 5)) * -1.0 - x1945 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1945 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1944, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x1944 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1945, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1945, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1945 - x1946 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1946 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1051, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1051 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1946, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1946, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1946, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1946, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1946 - x1947 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1947 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x915, (4, 5, 0, 6, 2, 7), (4, 5, 6, 1, 3, 7)) - del x915 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1947, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1947, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1947, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1947, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x1947 - x1948 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1948 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1063, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1063 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1948, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1948, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1948, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1948, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1948 - x1949 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1949 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1044, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x1044 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1949, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1949, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1949, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1949, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x1949 - x1950 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1950 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1042, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x1042 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1950, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1950, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1950 - x1951 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1951 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1049, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1049 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1951, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1951, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x1951 - x1952 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1952 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovvv, (0, 2, 4, 5), (1, 3, 4, 5)) * -1.0 - x1953 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1953 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1952, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1952 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1953, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1953, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x1953 - x1954 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1954 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1054, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x1054 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1954, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1954, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1954 - x1955 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1955 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1073, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1073 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1955, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1955, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1955, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1955, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x1955 - x1956 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1956 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1067, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1067 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1956, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1956, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x1956 - x1957 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1957 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1072, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1072 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1957, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1957, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1957, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1957, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x1957 - x1958 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1958 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1069, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1069 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1958, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1958, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x1958 - x1959 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1959 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1070, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1070 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1959, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x1959 - x1960 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1960 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovoO, (1, 4, 0, 5), (5, 2, 3, 4)) - x1961 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1961 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1960, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1960 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1961, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1961, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1961 - x1962 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1962 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x238, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x238 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1962, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1962, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1962, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1962, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x1962 - x1963 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1963 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1074, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x1074 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1963, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1963, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x1963 - x1964 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1964 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x236, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x236 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1964, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1964, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1964, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1964, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x1964 - x1965 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1965 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1075, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x1075 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1965, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1965, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x1965 - x1966 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1966 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 6, 2), (1, 3, 0, 4, 5, 6)) - x1967 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1967 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1966, (4, 5, 6, 0, 7, 1), (4, 5, 6, 7, 2, 3)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1967, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1967, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1967 - x1968 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1968 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1078, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x1078 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1968, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1968, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1968, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1968, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x1968 - x1969 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1969 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 1, 5, 2), (3, 0, 4, 5)) * -1.0 - x1970 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1970 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1969, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x1969 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1970, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1970, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x1970 - x1971 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1971 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1079, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x1079 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1971, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1971, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1971, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1971, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x1971 - x1972 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1972 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ooov, (4, 5, 1, 2), (3, 0, 4, 5)) * -1.0 - x1973 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1973 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1972, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x1972 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1973, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1973, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x1973 - x1974 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1974 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1094, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1094 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1974, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x1974 - x1975 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1975 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1099, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1099 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1975, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1975, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1975, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1975, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x1975 - x1976 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1976 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1083, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1083 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1976, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1976, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1976, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1976, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1976 - x1977 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1977 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1098, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1098 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1977, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1977, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1977, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1977, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x1977 - x1978 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1978 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1086, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1086 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1978, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1978, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x1978 - x1979 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x1979 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvV, (4, 3, 2, 5), (5, 0, 1, 4)) - x1980 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1980 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1979, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x1979 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1980, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1980, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x1980 - x1981 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1981 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1087, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1087 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1981, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1981, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x1981 - x1982 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1982 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1088, (4, 5, 6, 1, 3, 7), (4, 5, 6, 0, 2, 7)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1982, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1982, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1982, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x1982 - x1983 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1983 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1089, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 2, 7)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1983, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1983, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x1983 - x1984 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1984 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1090, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x1090 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1984, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1984, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x1984 - x1985 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1985 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x244, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x244 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1985, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1985 - x1986 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1986 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1091, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x1091 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1986, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1986, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x1986 - x1987 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1987 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1092, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x1092 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1987, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x1987 - x1988 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1988 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1101, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1101 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1988, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1988, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1988, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1988, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x1988 - x1989 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1989 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1100, (4, 5, 3, 6), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1100 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1989, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1989, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1989, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1989, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x1989 - x1990 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1990 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 4, 5, 3), (1, 2, 4, 5)) * -1.0 - x1991 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1991 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1990, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1990 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1991, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1991, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x1991 - x1992 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x1992 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovvv, (0, 3, 4, 5), (1, 2, 4, 5)) * -1.0 - x1993 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1993 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1992, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1992 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1993, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1993, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x1993 - x1994 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1994 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x917, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) - del x917 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1994, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1994, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1994, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1994, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x1994 - x1995 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1995 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x1171, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) - del x1171 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1995, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1995, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x1995, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x1995 - x1996 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1996 += einsum(x1337, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) - del x1337 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1996, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1996, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 - del x1996 - x1997 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x1997 += einsum(x1334, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) - del x1334 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1997, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x1997, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -2.0 - del x1997 - x1998 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1998 += einsum(x1344, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) - del x1344 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1998, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 - del x1998 - x1999 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x1999 += einsum(x1346, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) - del x1346 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x1999, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -2.0 - del x1999 - x2000 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2000 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x918, (4, 5, 0, 6, 2, 7), (4, 5, 1, 6, 3, 7)) - del x918 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2000, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2000, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2000, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2000 - x2001 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2001 += einsum(x14, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x14 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2001, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2001, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2001 - x2002 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2002 += einsum(x177, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - del x177 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2002, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x2002 - x2003 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2003 += einsum(x1141, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x1141 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2003, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2003, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - del x2003 - x2004 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2004 += einsum(x1148, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x1148 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2004, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x2004 - x2005 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2005 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1130, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x1130 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2005, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2005, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2005 - x2006 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2006 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1131, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x1131 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2006, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2006, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x2006 - x2007 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2007 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1133, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x1133 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2007, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2007, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2007, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2007, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x2007 - x2008 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2008 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x250, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2008, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2008, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2008, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x2008 - x2009 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2009 += einsum(x1371, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) - del x1371 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x2009, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x2009, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 - del x2009 - x2010 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2010 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1146, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1146 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2010, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2010, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2010, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x2010 - x2011 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2011 += einsum(x1366, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 2, 7), (0, 5, 7, 4, 3, 6)) - del x1366 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x2011, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 - del x2011 - x2012 = np.zeros((naocc[1], naocc[1], navir[1], nocc[0], nocc[1], nvir[0]), dtype=np.float64) - x2012 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), v.aabb.ovvO, (4, 5, 2, 6), (1, 6, 3, 4, 0, 5)) - x2013 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2013 += einsum(t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (0, 1, 2, 3, 4, 5), x2012, (6, 2, 7, 1, 8, 4), (6, 7, 5, 8, 0, 3)) - del x2012 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x2013, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x2013, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * -4.0 - del x2013 - x2014 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2014 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x250, (4, 5, 0, 6), (1, 4, 3, 5, 2, 6)) - del x250 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x2014, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x2014, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * -4.0 - del x2014 - x2015 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2015 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1153, (4, 5, 6, 3), (4, 5, 0, 1, 2, 6)) - del x1153 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2015, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2015 - x2016 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2016 += einsum(x265, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2016, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - del x2016 - x2017 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2017 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1155, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x1155 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2017, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2017, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x2017 - x2018 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2018 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1156, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x1156 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2018, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2018, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2018, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 - del x2018 - x2019 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2019 += einsum(x18, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) * -1.0 - del x18 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2019, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2019, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2019, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x2019 - x2020 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2020 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1157, (4, 5, 6, 1, 7, 3), (4, 5, 0, 6, 2, 7)) - del x1157 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2020, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2020, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2020, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x2020 - x2021 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2021 += einsum(v.bbbb.ovov, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 3, 1, 7), (6, 7, 4, 5, 0, 2)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2021, (4, 5, 6, 7, 1, 0), (6, 7, 4, 2, 3, 5)) * -6.0 - x2022 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2022 += einsum(x183, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) * -1.0 - del x183 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2022, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2022 - x2023 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x2023 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2023, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 - del x2023 - x2024 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x2024 += einsum(v.bbbb.ovoV, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 0, 4, 5, 6, 3), (4, 5, 6, 1)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2024, (4, 5, 6, 2), (0, 1, 4, 5, 6, 3)) * 6.0 - del x2024 - x2025 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2025 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1158, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1158 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2025, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2025, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2025, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x2025 - x2026 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2026 += einsum(x1175, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x1175 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2026, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2026, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -12.0 - del x2026 - x2027 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2027 += einsum(x1176, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x1176 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2027, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2027, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 12.0 - del x2027 - x2028 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2028 += einsum(x1177, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x1177 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2028, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2028 - x2029 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2029 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1159, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1159 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2029, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2029, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2029, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x2029 - x2030 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2030 += einsum(x1181, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x1181 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2030, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2030, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2030, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - del x2030 - x2031 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2031 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1160, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1160 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2031, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2031, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2031, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2031 - x2032 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2032 += einsum(v.bbbb.ovvO, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 3, 2, 1, 6), (6, 4, 5, 0)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2032, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -12.0 - del x2032 - x2033 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2033 += einsum(x1184, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x1184 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2033, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 12.0 - del x2033 - x2034 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2034 += einsum(x1185, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 1, 4, 5, 6), (0, 6, 2, 3, 4, 5)) - del x1185 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2034, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2034 - x2035 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2035 += einsum(x1187, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x1187 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2035, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - del x2035 - x2036 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2036 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 1, 2, 3, 4, 5), x1188, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) - del x1188 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2036, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2036, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2036 - x2037 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2037 += einsum(t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (0, 1, 2, 3, 4, 5), x1189, (6, 2, 7, 5, 8, 1), (6, 7, 8, 0, 3, 4)) - del x1189 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2037, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2037, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x2037 - x2038 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2038 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x254, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x254 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2038, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 12.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2038, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -12.0 - del x2038 - x2039 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2039 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1231, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1231 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2039, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2039, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2039, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2039, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2039 - x2040 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2040 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1232, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1232 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2040, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2040, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2040, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2040, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2040 - x2041 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2041 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), v.bbbb.ovoO, (4, 2, 5, 6), (6, 3, 0, 1, 5, 4)) * -1.0 - x2042 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2042 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2041, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x2041 - x2043 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2043 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2042, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2042 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2043, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2043, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x2043 - x2044 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2044 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x234, (4, 5, 6, 0), (1, 3, 4, 6, 5, 2)) - x2045 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2045 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2044, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x2044 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2045, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2045, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2045, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2045, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2045 - x2046 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2046 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x234, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) - del x234 - x2047 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2047 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2046, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2046 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2047, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2047, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2047, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2047, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2047 - x2048 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2048 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1966, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x1966 - x2049 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2049 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2048, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x2048 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2049, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2049, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2049, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2049, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2049 - x2050 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2050 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1234, (2, 3, 4, 1), (2, 0, 3, 4)) - x2051 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2051 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2050, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x2050 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2051, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2051, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2051 - x2052 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2052 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x269, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x269 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2052, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2052, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2052, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2052, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2052 - x2053 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2053 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1234, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - del x1234 - x2054 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2054 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2053, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2053 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2054, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2054, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2054, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2054, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2054 - x2055 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2055 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1236, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - del x1236 - x2056 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2056 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2055, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2055 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2056, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2056, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2056, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2056, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2056 - x2057 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2057 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1088, (2, 3, 4, 5, 1, 6), (2, 3, 0, 4, 5, 6)) - del x1088 - x2058 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2058 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2057, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2057 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2058, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2058, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2058, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2058, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2058 - x2059 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2059 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1089, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - del x1089 - x2060 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2060 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2059, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2059 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2060, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2060, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2060, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2060, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2060 - x2061 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2061 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1239, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1239 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2061, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2061, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2061 - x2062 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2062 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1241, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1241 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2062, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2062, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2062 - x2063 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2063 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1240, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1240 - x2064 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2064 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2063, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2063 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2064, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2064, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2064 - x2065 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2065 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1238, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1238 - x2066 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2066 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2065, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2065 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2066, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2066, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2066 - x2067 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2067 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1247, (2, 3, 4, 1), (2, 0, 3, 4)) - x2068 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2068 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2067, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x2067 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2068, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2068, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2068 - x2069 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2069 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1245, (2, 3, 4, 1), (2, 0, 4, 3)) - x2070 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2070 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2069, (4, 5, 0, 6), (1, 4, 5, 6, 2, 3)) * -1.0 - del x2069 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2070, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2070, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2070 - x2071 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2071 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1245, (4, 5, 6, 3), (1, 4, 0, 6, 5, 2)) * -1.0 - del x1245 - x2072 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2072 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2071, (2, 3, 4, 0, 5, 6), (2, 3, 4, 5, 1, 6)) - del x2071 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2072, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2072, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2072, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2072, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2072 - x2073 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2073 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1247, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1247 - x2074 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2074 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2073, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2073 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2074, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2074, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2074, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2074, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2074 - x2075 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2075 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1250, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 - del x1250 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2075, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2075, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2075, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2075, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2075 - x2076 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2076 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1251, (4, 5, 3, 6), (1, 4, 5, 0, 2, 6)) * -1.0 - del x1251 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2076, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2076, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2076, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2076, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2076 - x2077 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2077 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1255, (4, 5, 1, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x1255 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2077, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2077, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2077, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2077, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2077 - x2078 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2078 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1256, (4, 1, 5, 6), (4, 3, 0, 5, 6, 2)) * -1.0 - del x1256 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2078, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2078, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2078, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2078, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2078 - x2079 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2079 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1259, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1259 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2079, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2079, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2079 - x2080 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2080 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1261, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1261 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2080, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2080, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2080 - x2081 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2081 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1263, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x1263 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2081, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2081, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2081, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2081, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2081 - x2082 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2082 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1265, (4, 5, 1, 6), (4, 3, 5, 0, 2, 6)) * -1.0 - del x1265 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2082, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2082, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2082, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2082, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2082 - x2083 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2083 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1260, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1260 - x2084 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2084 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2083, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2083 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2084, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2084, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2084 - x2085 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2085 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1258, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1258 - x2086 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2086 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2085, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2085 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2086, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2086, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2086 - x2087 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2087 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1264, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1264 - x2088 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2088 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2087, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2087 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2088, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2088 - x2089 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2089 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1262, (4, 5, 2, 6), (4, 3, 0, 1, 5, 6)) * -1.0 - del x1262 - x2090 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2090 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2089, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2089 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2090, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2090, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2090 - x2091 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2091 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1268, (4, 5, 6, 1), (4, 5, 0, 6, 2, 3)) - del x1268 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2091, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2091, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2091 - x2092 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2092 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1269, (4, 5, 1, 6), (4, 5, 0, 6, 2, 3)) - del x1269 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2092, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2092, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2092 - x2093 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2093 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1271, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x1271 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2093, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2093, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2093 - x2094 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2094 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1272, (4, 5, 3, 6), (4, 5, 0, 1, 2, 6)) - del x1272 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2094, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2094 - x2095 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2095 += einsum(x21, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x21 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2095, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2095, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2095 - x2096 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2096 += einsum(x0, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x2097 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2097 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2096, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2096 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2097, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x2097 - x2098 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2098 += einsum(x13, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 0, 5, 6, 3, 7), (5, 7, 1, 4, 2, 6)) - del x13 - x2099 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2099 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2098, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2098 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2099, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2099, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2099, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2099 - x2100 = np.zeros((naocc[1], navir[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2100 += einsum(x1460, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (5, 0, 7, 2, 4, 6)) - del x1460 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x2100, (0, 1, 2, 3, 4, 5), (3, 4, 0, 5, 2, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,sVb,sVfb)] += einsum(x2100, (0, 1, 2, 3, 4, 5), (4, 3, 0, 5, 2, 1)) * 2.0 - del x2100 - x2101 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2101 += einsum(x982, (0, 1, 2, 3), t3.babbab[np.ix_(sob,soa,sOfb,svb,sva,sVfb)], (4, 1, 5, 6, 3, 7), (0, 5, 7, 4, 2, 6)) - del x982 - x2102 = np.zeros((naocc[1], naocc[1], navir[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2102 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2101, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2101 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 4, 5, 2)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sOb,sOfb,svb,svb,sVfb)] += einsum(x2102, (0, 1, 2, 3, 4, 5), (3, 1, 0, 5, 4, 2)) * 2.0 - del x2102 - x2103 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2103 += einsum(x276, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 6, 7), (4, 7, 1, 0, 5, 6)) * -1.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2103, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - del x2103 - x2104 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2104 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 1, 5, 6, 3, 7), (5, 7, 0, 4, 2, 6)) - x2105 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2105 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2104, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2104 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2105, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2105, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x2105 - x2106 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2106 += einsum(x16, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 2, 5, 6, 3, 7), (5, 7, 0, 4, 1, 6)) - del x16 - x2107 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2107 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2106, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2106 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2107, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2107, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2107 - x2108 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2108 += einsum(x22, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x22 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2108, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2108, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x2108 - x2109 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2109 += einsum(x23, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 1, 3, 4, 5, 6), (3, 6, 0, 2, 4, 5)) - del x23 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2109, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2109, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2109 - x2110 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2110 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2021, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x2021 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2110, (2, 3, 4, 5, 0, 6), (4, 5, 2, 1, 6, 3)) * 6.0 - del x2110 - x2111 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2111 += einsum(x1, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x2112 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2112 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2111, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2111 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2112, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x2112 - x2113 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2113 += einsum(x20, (0, 1), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (2, 3, 4, 5, 1, 6), (4, 6, 2, 3, 0, 5)) - x2114 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2114 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2113, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2113 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2114, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2114 - x2115 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2115 += einsum(x1306, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x1306 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2115, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2115, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 6.0 - del x2115 - x2116 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2116 += einsum(x1308, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 5, 6, 7, 1), (5, 0, 2, 4, 6, 7)) - del x1308 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2116, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2116, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -6.0 - del x2116 - x2117 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2117 += einsum(x1309, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 6, 7, 3, 1), (6, 0, 4, 5, 2, 7)) - del x1309 - x2118 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2118 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2117, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2117 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2118, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2118 - x2119 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2119 += einsum(x1316, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x1316 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2119, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2119, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -3.0 - del x2119 - x2120 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2120 += einsum(x1318, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 3, 1, 5, 6, 7), (0, 7, 2, 4, 5, 6)) - del x1318 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2120, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -3.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2120, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 3.0 - del x2120 - x2121 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2121 += einsum(x1317, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x1317 - x2122 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2122 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2121, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2121 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2122, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -6.0 - del x2122 - x2123 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2123 += einsum(x1315, (0, 1, 2, 3), t3.bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)], (4, 5, 1, 6, 3, 7), (0, 7, 4, 5, 2, 6)) - del x1315 - x2124 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2124 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2123, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2123 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -6.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2124, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 6.0 - del x2124 - x2125 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2125 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1368, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1368 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2125, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2125, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2125 - x2126 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2126 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x272, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x272 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2126, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x2126 - x2127 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2127 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1369, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1369 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2127, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2127, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2127, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x2127 - x2128 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2128 += einsum(x0, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - del x0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2128, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 - del x2128 - x2129 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2129 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x274, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x274 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2129, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2129, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2129 - x2130 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2130 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1390, (2, 3, 4, 1), (2, 0, 3, 4)) - x2131 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2131 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2130, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x2130 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2131, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2131, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2131 - x2132 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2132 += einsum(t2.abab[np.ix_(soa,sob,sva,svb)], (0, 1, 2, 3), x980, (4, 5, 0, 6, 7, 2), (4, 5, 6, 1, 7, 3)) - del x980 - x2133 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2133 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2132, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2132 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2133, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2133, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2133 - x2134 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2134 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1390, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1390 - x2135 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2135 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2134, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2134 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2135, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2135, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2135, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2135, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2135 - x2136 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2136 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1381, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1381 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2136, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2136, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - del x2136 - x2137 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2137 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1379, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1379 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2137, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2137, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2137 - x2138 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2138 += einsum(t2.abab[np.ix_(soa,sOb,sva,svb)], (0, 1, 2, 3), v.aabb.ovov, (0, 2, 4, 5), (1, 4, 3, 5)) * -1.0 - x2139 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2139 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2138, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x2138 - x2140 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2140 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2139, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2139 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2140, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2140, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2140 - x2141 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2141 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1378, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1378 - x2142 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2142 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2141, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2141 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2142, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2142 - x2143 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2143 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1399, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1399 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2143, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2143, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2143, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2143, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2143 - x2144 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2144 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1397, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1397 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2144, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - del x2144 - x2145 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2145 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1405, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1405 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2145, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2145, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2145, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2145, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2145 - x2146 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2146 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1402, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1402 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2146, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2146, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2146 - x2147 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2147 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x280, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x280 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2147, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2147, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2147, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2147, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x2147 - x2148 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2148 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1408, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1408 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2148, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2148, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x2148 - x2149 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2149 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x278, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x278 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2149, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2149, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2149, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2149, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x2149 - x2150 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2150 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1410, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1410 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2150, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2150, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x2150 - x2151 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2151 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1413, (2, 3, 4, 5, 6, 1), (2, 3, 0, 4, 5, 6)) - x2152 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2152 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x2151, (4, 5, 6, 7, 0, 1), (4, 5, 6, 7, 2, 3)) - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2152, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2152, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2152 - x2153 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2153 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1411, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1411 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2153, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2153, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2153, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2153, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - del x2153 - x2154 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2154 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1429, (2, 3, 4, 1), (2, 0, 3, 4)) - x2155 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2155 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2154, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x2154 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2155, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2155, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - del x2155 - x2156 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2156 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1412, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1412 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2156, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2156, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - del x2156 - x2157 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2157 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1427, (2, 3, 4, 1), (2, 0, 3, 4)) - x2158 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2158 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2157, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) * -1.0 - del x2157 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2158, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2158, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - del x2158 - x2159 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2159 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1425, (4, 5, 6, 3), (1, 4, 5, 0, 2, 6)) - del x1425 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2159, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - del x2159 - x2160 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2160 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 7, 1, 3), (4, 5, 6, 0, 7, 2)) - x2161 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2161 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2160, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2160 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2161, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2161, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2161 - x2162 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2162 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1413, (4, 5, 6, 1, 7, 3), (4, 5, 6, 0, 7, 2)) - del x1413 - x2163 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2163 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2162, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2162 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2163, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2163, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2163, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2163, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2163 - x2164 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2164 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1407, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1407 - x2165 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2165 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2164, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2164 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2165, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2165 - x2166 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2166 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x265, (4, 5, 0, 6), (1, 3, 4, 5, 6, 2)) * -1.0 - del x265 - x2167 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2167 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2166, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2166 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2167, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2167 - x2168 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2168 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1409, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1409 - x2169 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2169 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2168, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2168 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2169, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2169 - x2170 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2170 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1419, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) - del x1419 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2170, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2170 - x2171 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2171 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1429, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1429 - x2172 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2172 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2171, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2171 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2172, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2172, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2172, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2172 - x2173 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2173 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1427, (4, 5, 6, 3), (1, 4, 0, 5, 6, 2)) * -1.0 - del x1427 - x2174 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2174 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2173, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2173 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2174, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2174, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2174 - x2175 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2175 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 5, 0, 3), (1, 4, 2, 5)) * -1.0 - x2176 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2176 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2175, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x2175 - x2177 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2177 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2176, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2176 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2177, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2177 - x2178 = np.zeros((naocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2178 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), v.bbbb.ovov, (4, 3, 0, 5), (1, 4, 2, 5)) * -1.0 - x2179 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2179 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2178, (4, 5, 6, 2), (4, 3, 0, 1, 5, 6)) * -1.0 - del x2178 - x2180 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2180 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2179, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2179 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2180, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2180 - x2181 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2181 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1421, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1421 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2181, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2181, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2181 - x2182 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2182 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1422, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1422 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2182, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2182, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2182 - x2183 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2183 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x286, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x286 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2183, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x2183 - x2184 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2184 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x288, (4, 5, 0, 6), (1, 3, 4, 5, 2, 6)) - del x288 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2184, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x2184 - x2185 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2185 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1423, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1423 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2185, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2185, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x2185 - x2186 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2186 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1424, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1424 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2186, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2186, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2186, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x2186 - x2187 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2187 += einsum(x1, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - del x1 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2187, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * 4.0 - del x2187 - x2188 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2188 += einsum(x20, (0, 1), t2.bbbb[np.ix_(sob,sob,svb,sVb)], (2, 3, 1, 4), (4, 2, 3, 0)) * -1.0 - del x20 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2188, (4, 5, 6, 0), (6, 5, 1, 2, 3, 4)) * -4.0 - del x2188 - x2189 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2189 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1440, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1440 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2189, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2189, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2189, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2189, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x2189 - x2190 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2190 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1434, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) * -1.0 - del x1434 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2190, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2190, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2190 - x2191 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2191 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1439, (4, 5, 6, 3), (1, 4, 0, 5, 2, 6)) * -1.0 - del x1439 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2191, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2191, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2191, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2191, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x2191 - x2192 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2192 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1437, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1437 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2192, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x2192 - x2193 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2193 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x961, (4, 5, 2, 3), (4, 0, 1, 5)) - del x961 - x2194 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2194 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2193, (4, 5, 6, 0), (1, 4, 5, 6, 2, 3)) - del x2193 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2194, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2194 - x2195 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2195 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1438, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1438 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2195, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2195, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x2195 - x2196 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2196 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1448, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1448 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2196, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2196, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2196, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2196, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -4.0 - del x2196 - x2197 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2197 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1442, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1442 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2197, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2197, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 4.0 - del x2197 - x2198 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2198 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1447, (4, 5, 1, 6), (4, 3, 0, 5, 2, 6)) * -1.0 - del x1447 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2198, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2198, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2198, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2198, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 4.0 - del x2198 - x2199 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2199 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1444, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1444 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2199, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 4.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2199, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -4.0 - del x2199 - x2200 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2200 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1445, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) * -1.0 - del x1445 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2200, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - del x2200 - x2201 = np.zeros((naocc[1], nvir[1], nvir[1], nvir[1]), dtype=np.float64) - x2201 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x975, (4, 0, 1, 5), (4, 2, 3, 5)) - x2202 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2202 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x2201, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 - del x2201 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2202, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2202 - x2203 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2203 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,sVb)], (0, 1, 2, 3), x276, (4, 5, 0, 6), (1, 3, 5, 4, 6, 2)) - del x276 - x2204 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2204 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2203, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2203 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2204, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2204, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2204, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2204, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2204 - x2205 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2205 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2151, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x2151 - x2206 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2206 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2205, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2205 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2206, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2206, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2206, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2206 - x2207 = np.zeros((navir[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2207 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x1469, (2, 3, 4, 1), (2, 3, 0, 4)) - x2208 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2208 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x2207, (4, 5, 6, 0), (1, 4, 6, 5, 2, 3)) * -1.0 - del x2207 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2208, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2208, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2208 - x2209 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2209 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1469, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - del x1469 - x2210 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2210 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2209, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2209 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2210, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2210, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2210 - x2211 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2211 += einsum(t2.bbbb[np.ix_(sob,sOb,svb,svb)], (0, 1, 2, 3), x1471, (4, 5, 6, 3), (1, 4, 5, 0, 6, 2)) * -1.0 - del x1471 - x2212 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2212 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2211, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2211 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2212, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2212, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2212, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2212, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2212 - x2213 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2213 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1474, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1474 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2213, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2213, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2213, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2213, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2213 - x2214 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2214 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x1475, (4, 5, 1, 6), (4, 3, 5, 0, 6, 2)) * -1.0 - del x1475 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2214, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2214, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2214 - x2215 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nocc[1]), dtype=np.float64) - x2215 += einsum(t2.bbbb[np.ix_(sob,sob,svb,sVb)], (0, 1, 2, 3), x975, (4, 5, 6, 2), (4, 3, 0, 1, 6, 5)) * -1.0 - del x975 - x2216 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2216 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2215, (2, 3, 4, 5, 6, 0), (2, 3, 4, 5, 6, 1)) - del x2215 - x2217 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2217 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2216, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2216 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2217, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2217 - x2218 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2218 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1477, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1477 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2218, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2218, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * 2.0 - del x2218 - x2219 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2219 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1479, (4, 5, 6, 1), (4, 5, 6, 0, 2, 3)) - del x1479 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2219, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2219, (0, 1, 2, 3, 4, 5), (3, 2, 0, 5, 4, 1)) * -2.0 - del x2219 - x2220 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2220 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1476, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1476 - x2221 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2221 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2220, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2220 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2221, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * 2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2221, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * -2.0 - del x2221 - x2222 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nocc[1], nvir[1]), dtype=np.float64) - x2222 += einsum(t2.bbbb[np.ix_(sob,sob,svb,svb)], (0, 1, 2, 3), x1478, (4, 5, 6, 3), (4, 5, 0, 1, 6, 2)) - del x1478 - x2223 = np.zeros((naocc[1], navir[1], nocc[1], nocc[1], nvir[1], nvir[1]), dtype=np.float64) - x2223 += einsum(t1.bb[np.ix_(sob,svb)], (0, 1), x2222, (2, 3, 4, 5, 0, 6), (2, 3, 4, 5, 1, 6)) - del x2222 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 4, 5, 1)) * -2.0 - t3new_bbbbbb[np.ix_(sob,sob,sOfb,svb,svb,sVfb)] += einsum(x2223, (0, 1, 2, 3, 4, 5), (2, 3, 0, 5, 4, 1)) * 2.0 - del x2223 - - t1new.aa = t1new_aa - t1new.bb = t1new_bb - t2new.aaaa = t2new_aaaa - t2new.abab = t2new_abab - t2new.bbbb = t2new_bbbb - t3new.aaaaaa = t3new_aaaaaa - t3new.abaaba = t3new_abaaba - t3new.babbab = t3new_babbab - t3new.bbbbbb = t3new_bbbbbb - - return {"t1new": t1new, "t2new": t2new, "t3new": t3new} - diff --git a/examples/04-ccsdt_active_space.py b/examples/04-ccsdt_active_space.py index 75d6d518..268bc760 100644 --- a/examples/04-ccsdt_active_space.py +++ b/examples/04-ccsdt_active_space.py @@ -1,6 +1,5 @@ """ -Example of a CCSDt' and CCSDt calculations with T3 amplitudes in an -active space. +Example of a CCSDt' calculations with T3 amplitudes in an active space. """ import numpy as np @@ -33,7 +32,3 @@ # Run a CCSDt' calculation ccsdt = REBCC(mf, ansatz="CCSDt'", space=space) ccsdt.kernel() - -# Run a CCSDt calculation -ccsdt = REBCC(mf, ansatz="CCSDt", space=space) -ccsdt.kernel() diff --git a/tests/test_GCCSDt.py b/tests/test_GCCSDt.py deleted file mode 100644 index b20cbac4..00000000 --- a/tests/test_GCCSDt.py +++ /dev/null @@ -1,176 +0,0 @@ -"""Tests for the GCCSDt model. -""" - -import tempfile -import unittest - -import numpy as np -import pytest -from pyscf import gto, lib, scf, fci - -from ebcc import GEBCC, REBCC, Space, NullLogger, util - - -@pytest.mark.regression -class GCCSDt_Tests(unittest.TestCase): - """Test GCCSDt against regression. - """ - - def test_3_electron_exact_fully_active(self): - mol = gto.M( - atom="H 0 0 0; H 0 0 1", - basis="6-31g", - spin=1, - charge=-1, - verbose=0, - ) - assert mol.nelectron == 3 - - mf = scf.UHF(mol) - mf.kernel() - gmf = mf.to_ghf() - - space = Space( - gmf.mo_occ > 0, - np.zeros_like(gmf.mo_occ, dtype=bool), - np.ones_like(gmf.mo_occ, dtype=bool), - ) - - ccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - conv_tol=1e-10, - log=NullLogger(), - ) - ccsdt.kernel() - e1 = ccsdt.e_tot - - ci = fci.FCI(mf) - ci.conv_tol = 1e-10 - e2 = ci.kernel()[0] - - self.assertAlmostEqual(e1, e2, 6) - - def test_fully_active(self): - mol = gto.M( - atom="H 0 0 0; Li 0 0 1", - basis="sto3g", - verbose=0, - ) - - mf = scf.RHF(mol) - mf.kernel() - gmf = mf.to_ghf() - - space = Space( - gmf.mo_occ > 0, - np.zeros_like(gmf.mo_occ, dtype=bool), - np.ones_like(gmf.mo_occ, dtype=bool), - ) - - ccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - conv_tol=1e-10, - log=NullLogger(), - ) - ccsdt.kernel() - e1 = ccsdt.e_tot - - ccsdt = GEBCC( - gmf, - ansatz="CCSDT", - space=space, - conv_tol=1e-10, - log=NullLogger(), - ) - ccsdt.kernel() - e2 = ccsdt.e_tot - - self.assertAlmostEqual(e1, e2, 8) - - def test_none_active(self): - mol = gto.M( - atom="H 0 0 0; Li 0 0 1", - basis="sto3g", - verbose=0, - ) - - mf = scf.RHF(mol) - mf.kernel() - gmf = mf.to_ghf() - - space = Space( - gmf.mo_occ > 0, - np.zeros_like(gmf.mo_occ, dtype=bool), - np.zeros_like(gmf.mo_occ, dtype=bool), - ) - - ccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - conv_tol=1e-10, - log=NullLogger(), - ) - ccsdt.kernel() - e1 = ccsdt.e_tot - - ccsdt = GEBCC( - gmf, - ansatz="CCSD", - space=space, - conv_tol=1e-10, - log=NullLogger(), - ) - ccsdt.kernel() - e2 = ccsdt.e_tot - - self.assertAlmostEqual(e1, e2, 8) - - def test_dump(self): - mol = gto.M( - atom="H 0 0 0; H 0 0 1", - basis="6-31g", - spin=1, - charge=-1, - verbose=0, - ) - - mf = scf.UHF(mol) - mf.kernel() - gmf = mf.to_ghf() - - active = np.zeros_like(gmf.mo_occ, dtype=bool) - active[np.where(gmf.mo_occ > 0)[0][-1]] = True - active[np.where(gmf.mo_occ == 0)[0][0]] = True - space = Space( - gmf.mo_occ > 0, - np.zeros_like(gmf.mo_occ, dtype=bool), - active, - ) - - ccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - conv_tol=1e-10, - log=NullLogger(), - ) - ccsdt.kernel() - - file = "%s/ebcc.h5" % tempfile.gettempdir() - ccsdt.write(file) - ccsdt_load = GEBCC.read(file, log=NullLogger()) - - np.testing.assert_almost_equal(ccsdt_load.t1, ccsdt.t1) - np.testing.assert_almost_equal(ccsdt_load.t2, ccsdt.t2) - np.testing.assert_almost_equal(ccsdt_load.t3, ccsdt.t3) - - - -if __name__ == "__main__": - print("Tests for GCCSDt") - unittest.main() diff --git a/tests/test_RCCSDt.py b/tests/test_RCCSDt.py deleted file mode 100644 index 7cd3238c..00000000 --- a/tests/test_RCCSDt.py +++ /dev/null @@ -1,175 +0,0 @@ -"""Tests for the RCCSDt model. -""" - -import itertools -import tempfile -import unittest - -import numpy as np -import pytest -import scipy -from pyscf import gto, lib, scf, fci - -from ebcc import GEBCC, REBCC, Space, NullLogger, util - - -@pytest.mark.regression -class RCCSDt_Tests(unittest.TestCase): - """Test RCCSDt against GCCSDt. - """ - - @classmethod - def setUpClass(cls): - mol = gto.Mole() - mol.atom = "H 0 0 0; Li 0 0 1" - mol.basis = "6-31g" - mol.verbose = 0 - mol.build() - - mf = scf.RHF(mol) - mf.kernel() - - active = np.zeros_like(mf.mo_occ, dtype=bool) - active[np.where(mf.mo_occ > 0)[0][-1]] = True - active[np.where(mf.mo_occ == 0)[0][0]] = True - space = Space( - mf.mo_occ > 0, - np.zeros_like(mf.mo_occ, dtype=bool), - active, - ) - - rccsdt = REBCC( - mf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - rccsdt.options.e_tol = 1e-10 - rccsdt.options.t_tol = 1e-8 - rccsdt.kernel() - - gmf = mf.to_ghf() - - active = np.zeros_like(gmf.mo_occ, dtype=bool) - active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ > 0)[0][-1]])] = True - active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ == 0)[0][0]])] = True - space = Space( - gmf.mo_occ > 0, - np.zeros_like(gmf.mo_occ, dtype=bool), - active, - ) - - gccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - gccsdt.options.e_tol = 1e-10 - gccsdt.options.t_tol = 1e-8 - gccsdt.kernel() - - osort = list(itertools.chain(*zip(range(rccsdt.nocc), range(rccsdt.nocc, 2*rccsdt.nocc)))) - vsort = list(itertools.chain(*zip(range(rccsdt.nvir), range(rccsdt.nvir, 2*rccsdt.nvir)))) - fsort = list(itertools.chain(*zip(range(rccsdt.nmo), range(rccsdt.nmo, 2*rccsdt.nmo)))) - - cls.mf, cls.rccsdt, cls.gccsdt = mf, rccsdt, gccsdt - cls.osort, cls.vsort, cls.fsort = osort, vsort, fsort - - @classmethod - def tearDownClass(cls): - del cls.mf, cls.rccsdt, cls.gccsdt - del cls.osort, cls.vsort, cls.fsort - - def test_energy(self): - a = self.rccsdt.e_tot - b = self.gccsdt.e_tot - self.assertAlmostEqual(a, b, 6) - - def test_t1(self): - a = scipy.linalg.block_diag(self.rccsdt.t1, self.rccsdt.t1)[self.osort][:, self.vsort] - b = self.gccsdt.t1 - np.testing.assert_almost_equal(a, b, 6) - - -@pytest.mark.regression -class RCCSDt_Frozen_Tests(unittest.TestCase): - """Test RCCSDt against GCCSDt with a frozen core approximation. - """ - - @classmethod - def setUpClass(cls): - mol = gto.Mole() - mol.atom = "H 0 0 0; Li 0 0 1" - mol.basis = "6-31g" - mol.verbose = 0 - mol.build() - - mf = scf.RHF(mol) - mf.kernel() - - active = np.zeros_like(mf.mo_occ, dtype=bool) - active[np.where(mf.mo_occ > 0)[0][-1]] = True - active[np.where(mf.mo_occ == 0)[0][0]] = True - frozen = np.zeros_like(mf.mo_occ, dtype=bool) - frozen[0] = True - space = Space( - mf.mo_occ > 0, - frozen, - active, - ) - - rccsdt = REBCC( - mf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - rccsdt.options.e_tol = 1e-10 - rccsdt.options.t_tol = 1e-8 - rccsdt.kernel() - - gmf = mf.to_ghf() - - active = np.zeros_like(gmf.mo_occ, dtype=bool) - active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ > 0)[0][-1]])] = True - active[np.isclose(gmf.mo_energy, mf.mo_energy[np.where(mf.mo_occ == 0)[0][0]])] = True - frozen = np.zeros_like(gmf.mo_occ, dtype=bool) - frozen[np.isclose(gmf.mo_energy, mf.mo_energy[0])] = True - space = Space( - gmf.mo_occ > 0, - frozen, - active, - ) - - gccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - gccsdt.options.e_tol = 1e-10 - gccsdt.options.t_tol = 1e-8 - gccsdt.kernel() - - osort = list(itertools.chain(*zip(range(rccsdt.nocc), range(rccsdt.nocc, 2*rccsdt.nocc)))) - vsort = list(itertools.chain(*zip(range(rccsdt.nvir), range(rccsdt.nvir, 2*rccsdt.nvir)))) - fsort = list(itertools.chain(*zip(range(rccsdt.nmo), range(rccsdt.nmo, 2*rccsdt.nmo)))) - - cls.mf, cls.rccsdt, cls.gccsdt = mf, rccsdt, gccsdt - cls.osort, cls.vsort, cls.fsort = osort, vsort, fsort - - @classmethod - def tearDownClass(cls): - del cls.mf, cls.rccsdt, cls.gccsdt - del cls.osort, cls.vsort, cls.fsort - - def test_energy(self): - a = self.rccsdt.e_tot - b = self.gccsdt.e_tot - self.assertAlmostEqual(a, b, 6) - - -if __name__ == "__main__": - print("Tests for RCCSDt") - unittest.main() diff --git a/tests/test_UCCSDt.py b/tests/test_UCCSDt.py deleted file mode 100644 index 970f9267..00000000 --- a/tests/test_UCCSDt.py +++ /dev/null @@ -1,108 +0,0 @@ -"""Tests for the UCCSDt model. -""" - -import itertools -import unittest - -import numpy as np -import pytest -from pyscf import gto, lib, scf, fci -import scipy.linalg - -from ebcc import UEBCC, GEBCC, Space, NullLogger, util - - -@pytest.mark.regression -class UCCSDt_Tests(unittest.TestCase): - """Test UCCSDt against GCCSDt. - """ - - @classmethod - def setUpClass(cls): - mol = gto.Mole() - mol.atom = "H 0 0 0; Li 0 0 1.64" - mol.basis = "6-31g" - mol.verbose = 0 - mol.build() - - mf = scf.UHF(mol) - mf.kernel() - - active = [np.zeros_like(o) for o in mf.mo_occ] - for i in range(2): - active[i][np.sum(mf.mo_occ[i] > 0) - 1] = active[i][np.sum(mf.mo_occ[i] > 0)] = True - space = tuple(Space(o > 0, np.zeros_like(a), a) for o, a in zip(mf.mo_occ, active)) - - uccsdt = UEBCC( - mf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - uccsdt.options.e_tol = 1e-8 - uccsdt.options.t_tol = 1e-6 - uccsdt.kernel() - - gmf = mf.to_uhf().to_ghf() - active = np.zeros_like(gmf.mo_occ) - active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[0][np.sum(mf.mo_occ[0] > 0) - 1]))[0]] = True - active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[1][np.sum(mf.mo_occ[1] > 0) - 1]))[0]] = True - active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[0][np.sum(mf.mo_occ[0] > 0)]))[0]] = True - active[np.where(np.isclose(gmf.mo_energy, mf.mo_energy[1][np.sum(mf.mo_occ[1] > 0)]))[0]] = True - space = Space(gmf.mo_occ > 0, np.zeros_like(active), active) - - gccsdt = GEBCC( - gmf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - gccsdt.options.e_tol = 1e-8 - gccsdt.options.t_tol = 1e-6 - gccsdt.kernel() - - cls.mf, cls.uccsdt, cls.gccsdt = mf, uccsdt, gccsdt - - @classmethod - def tearDownClass(cls): - del cls.mf, cls.uccsdt, cls.gccsdt - - def test_energy(self): - a = self.uccsdt.e_tot - b = self.gccsdt.e_tot - self.assertAlmostEqual(a, b, 6) - - def test_3_electron_exact(self): - mol = gto.M( - atom="H 0 0 0; H 0 0 1", - basis="6-31g", - spin=1, - charge=-1, - verbose=0, - ) - assert mol.nelectron == 3 - - mf = scf.UHF(mol) - mf.kernel() - - space = tuple(Space(o > 0, np.zeros_like(o), np.ones_like(o)) for o in mf.mo_occ) - - ccsdt = UEBCC( - mf, - ansatz="CCSDt", - space=space, - log=NullLogger(), - ) - ccsdt.kernel() - e1 = ccsdt.e_tot - - ci = fci.FCI(mf) - ci.conv_tol = 1e-10 - e2 = ci.kernel()[0] - - self.assertAlmostEqual(e1, e2, 6) - - -if __name__ == "__main__": - print("Tests for UCCSDt") - unittest.main()