From 80852ddf51e22a8192bedd8a49ef129c9b0ed344 Mon Sep 17 00:00:00 2001 From: Kane Shenton Date: Fri, 6 Feb 2026 12:58:08 +0000 Subject: [PATCH] model_path -> model in choose_calculator This option was changed following https://github.com/stfc/janus-core/pull/640 --- pack_mm/core/core.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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, )