diff --git a/vayesta/tests/ewf/test_h2_pbc.py b/vayesta/tests/ewf/test_h2_pbc.py index ba0af08c..6ae5ed19 100644 --- 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)]