deepmd.dpmodel.model.dp_model

Classes

DPModelCommon

Module Contents

class deepmd.dpmodel.model.dp_model.DPModelCommon[source]

classmethod update_sel(train_data: deepmd.utils.data_system.DeepmdDataSystem, type_map: List[str] | None, local_jdata: dict) → Tuple[dict, float | None][source]

Update the selection and perform neighbor statistics.

Parameters:

train_dataDeepmdDataSystem: data used to do neighbor statictics
type_maplist[str], optional: The name of each type of atoms
local_jdatadict: The local data refer to the current class

Returns:

dict: The updated local data
float: The minimum distance between two atoms