diff --git a/dpdata/plugins/abacus.py b/dpdata/plugins/abacus.py index a57e2d00d..b3e7c98a4 100644 --- a/dpdata/plugins/abacus.py +++ b/dpdata/plugins/abacus.py @@ -65,6 +65,9 @@ def register_mag_data(data): deepmd_name="force_mag", ) dpdata.LabeledSystem.register_data_type(dt) + + +def register_move_data(data): if "move" in data: dt = DataType( "move", @@ -84,6 +87,7 @@ class AbacusSCFFormat(Format): def from_labeled_system(self, file_name, **kwargs): data = dpdata.abacus.scf.get_frame(file_name) register_mag_data(data) + register_move_data(data) return data @@ -95,6 +99,7 @@ class AbacusMDFormat(Format): def from_labeled_system(self, file_name, **kwargs): data = dpdata.abacus.md.get_frame(file_name) register_mag_data(data) + register_move_data(data) return data @@ -106,4 +111,5 @@ class AbacusRelaxFormat(Format): def from_labeled_system(self, file_name, **kwargs): data = dpdata.abacus.relax.get_frame(file_name) register_mag_data(data) + register_move_data(data) return data