diff --git a/jitterbug/utils.py b/jitterbug/utils.py index 149ffaf..99fc179 100644 --- a/jitterbug/utils.py +++ b/jitterbug/utils.py @@ -29,7 +29,7 @@ def make_calculator(method: str, basis: Optional[str], **kwargs) -> Calculator: """ if method in mopac_methods: - if basis is not None: + if not (basis is None or basis == "None"): raise ValueError(f'Basis must be none for method: {method}') return MOPAC(method=method, command='mopac PREFIX.mop > /dev/null') else: