Add ref value for 2D test

BoothGroup · Sep 25, 2024 · 40bb57c · 40bb57c
1 parent 28dc8f7
commit 40bb57c
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/vayesta/tests/ewf/test_h2_pbc.py b/vayesta/tests/ewf/test_h2_pbc.py
@@ -326,6 +326,7 @@ def setUpClass(cls):
         cls.ref_values = {
             ("e_corr", -1): cls.cc.e_corr / nk,
             ("e_tot", -1): cls.cc.e_tot / nk,
+            ("e_ccsd_t", -1): cls.cc.uccsd_t() / nk,
             ("e_corr", 1e-3): -0.013767086213673153,
         }
         cls.ref_values[("e_tot", 1e-3)] = cls.mf.e_tot + cls.ref_values[("e_corr", 1e-3)]