Merge pull request #17 from corcoted/corcoted

Fix get_abs_basis_set when basis set is unknown and trust_me is True
cyllab · Jun 4, 2024 · 06fc6c2 · 06fc6c2
2 parents 0be6b6c + 0213b78
commit 06fc6c2
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/ccinput/utilities.py b/ccinput/utilities.py
@@ -222,8 +222,8 @@ def get_abs_basis_set(basis_set, trust_me=False):
         if _bs.lower() == bs:
             return bs
     if trust_me:
-        warn(f"Using unknown basis set '{bs}'")
-        return bs
+        warn(f"Using unknown basis set '{basis_set}'")
+        return basis_set
     else:
         raise InvalidParameter(f"Unknown basis set: '{basis_set}'")