deepmd.dpmodel.model.dp_zbl_model

deepmd.dpmodel.model.dp_zbl_model#

Attributes#

DPZBLModel_

Classes#

DPZBLModel

The unit operation of a native model.

Module Contents#

deepmd.dpmodel.model.dp_zbl_model.DPZBLModel_[source]#
class deepmd.dpmodel.model.dp_zbl_model.DPZBLModel(*args: Any, **kwargs: Any)[source]#

Bases: DPZBLModel_

The unit operation of a native model.

model_type = 'zbl'[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 statistics

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

Contents