diff --git a/ebcc/codegen/GCCSDt.py b/ebcc/codegen/GCCSDt.py index 73f0e14c..d5152aba 100644 --- a/ebcc/codegen/GCCSDt.py +++ b/ebcc/codegen/GCCSDt.py @@ -8,7 +8,7 @@ def energy(f=None, v=None, nocc=None, nvir=None, t1=None, t2=None, t3=None, **kw # energy e_cc = 0 e_cc += einsum(f.ov, (0, 1), t1, (0, 1), ()) - x0 = np.zeros((nocc, nocc, nvir, nvir), dtype=np.float64) + 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 @@ -29,7 +29,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sVf = np.ones((navir,), dtype=bool) # T amplitudes - t1new = np.zeros((nocc, nvir), dtype=np.float64) + 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)) @@ -38,12 +38,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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)) @@ -51,336 +51,336 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -388,13 +388,13 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -402,9 +402,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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)) @@ -412,47 +412,47 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -460,9 +460,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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)) @@ -470,9 +470,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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)) @@ -480,29 +480,29 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -510,9 +510,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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 @@ -520,25 +520,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -546,34 +546,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -581,25 +581,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -607,83 +607,83 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -691,27 +691,27 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -719,24 +719,24 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -744,17 +744,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -762,32 +762,32 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -795,9 +795,9 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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 @@ -805,17 +805,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -823,45 +823,45 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -869,28 +869,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -898,29 +898,29 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -928,54 +928,54 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -983,17 +983,17 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1001,25 +1001,25 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1027,16 +1027,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1044,39 +1044,39 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1084,12 +1084,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1097,12 +1097,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1110,11 +1110,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1122,53 +1122,53 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1176,85 +1176,85 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1262,28 +1262,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1291,20 +1291,20 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1312,10 +1312,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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)) @@ -1323,30 +1323,30 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1354,10 +1354,10 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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 @@ -1365,34 +1365,34 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 @@ -1400,16 +1400,16 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1417,31 +1417,31 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1449,55 +1449,55 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1505,12 +1505,12 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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)) @@ -1518,28 +1518,28 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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 diff --git a/ebcc/codegen/RCCSDt.py b/ebcc/codegen/RCCSDt.py index e1885f7b..5ce95241 100644 --- a/ebcc/codegen/RCCSDt.py +++ b/ebcc/codegen/RCCSDt.py @@ -6,12 +6,12 @@ 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=np.float64) + 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=np.float64) + 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 @@ -33,7 +33,7 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) sVf = np.ones((navir,), dtype=bool) # T amplitudes - t1new = np.zeros((nocc, nvir), dtype=np.float64) + 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)) @@ -48,11 +48,11 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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 @@ -93,3025 +93,3025 @@ def update_amps(f=None, v=None, space=None, t1=None, t2=None, t3=None, **kwargs) 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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=np.float64) + 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