Resolve flake from undetermined basis

BoothGroup · Feb 23, 2024 · d21a8b7 · d21a8b7
1 parent feb09df
commit d21a8b7
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/tests/test_RCCSD.py b/tests/test_RCCSD.py
@@ -261,6 +261,8 @@ def setUpClass(cls):
         ccsd_ref.solve_lambda()
 
         no_coeff, no_occ, no_space = construct_fno_space(mf, occ_tol=1e-3)
+        # Use the PySCF coefficients in case the phases are different
+        no_coeff = ccsd_ref.mo_coeff
 
         ccsd = REBCC(
                 mf,