diff --git a/pack_mm/core/core.py b/pack_mm/core/core.py index e1b6269..650ca61 100644 --- a/pack_mm/core/core.py +++ b/pack_mm/core/core.py @@ -301,7 +301,7 @@ def pack_molecules( calc = choose_calculator( arch=arch, - model_path=model, + model=model, device=device, dispersion=dispersion, )