fix problem with PSI4 pe + pcm tests

adc-connect · Jul 12, 2021 · a36c658 · a36c658
1 parent 4c495a8
commit a36c658
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/adcc/backends/psi4.py b/adcc/backends/psi4.py
@@ -256,6 +256,7 @@ def run_hf(xyz, basis, charge=0, multiplicity=1, conv_tol=1e-11,
         "ccpvdz": "cc-pvdz",
     }
 
+    psi4.core.clean_options()
     mol = psi4.geometry(f"""
         {charge} {multiplicity}
         {xyz}