From 977447b77e80c096667263cd967868427614fd9b Mon Sep 17 00:00:00 2001 From: Anyang Peng <137014849+anyangml@users.noreply.github.com> Date: Tue, 26 Nov 2024 14:24:33 +0800 Subject: [PATCH] fix: add model_def_script to zbl --- deepmd/pt/model/model/__init__.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/deepmd/pt/model/model/__init__.py b/deepmd/pt/model/model/__init__.py index da1edb3354..9d4bf45f15 100644 --- a/deepmd/pt/model/model/__init__.py +++ b/deepmd/pt/model/model/__init__.py @@ -196,7 +196,7 @@ def get_zbl_model(model_params): rmax = model_params["sw_rmax"] atom_exclude_types = model_params.get("atom_exclude_types", []) pair_exclude_types = model_params.get("pair_exclude_types", []) - return DPZBLModel( + model = DPZBLModel( dp_model, pt_model, rmin, @@ -205,6 +205,8 @@ def get_zbl_model(model_params): atom_exclude_types=atom_exclude_types, pair_exclude_types=pair_exclude_types, ) + model.model_def_script = json.dumps(model_params) + return model def _can_be_converted_to_float(value) -> Optional[bool]: