PR Silence PySCF (#322)

* added molecule_arguments explicitly to orbital_optimizer * verbose=false in pyscf
tequilahub · Feb 2, 2024 · eb20f26 · eb20f26
1 parent 018d407
commit eb20f26
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/src/tequila/quantumchemistry/pyscf_interface.py b/src/tequila/quantumchemistry/pyscf_interface.py
@@ -45,6 +45,10 @@ def __init__(self, parameters: ParametersQC,
 
             # solve restricted HF
             mf = pyscf.scf.RHF(mol)
+            mf.verbose = False
+            if "verbose" in kwargs:
+                mf.verbose = kwargs["verbose"]
+
             mf.kernel()
 
             # only works if point_group is not C1