deepmd.dpmodel.model.polar_model

Attributes

DPPolarModel_

Classes

PolarModel

Common methods for DP models.

Module Contents

deepmd.dpmodel.model.polar_model.DPPolarModel_

class deepmd.dpmodel.model.polar_model.PolarModel(*args: Any, **kwargs: Any)

Bases: deepmd.dpmodel.model.dp_model.DPModelCommon, DPPolarModel_

Common methods for DP models.

This class provides common functionality for DeepPot models, including neighbor selection updates and fitting network access.

call(coord: deepmd.dpmodel.array_api.Array, atype: deepmd.dpmodel.array_api.Array, box: deepmd.dpmodel.array_api.Array | None = None, fparam: deepmd.dpmodel.array_api.Array | None = None, aparam: deepmd.dpmodel.array_api.Array | None = None, do_atomic_virial: bool = False, charge_spin: deepmd.dpmodel.array_api.Array | None = None) → dict[str, deepmd.dpmodel.array_api.Array]

call_lower(extended_coord: deepmd.dpmodel.array_api.Array, extended_atype: deepmd.dpmodel.array_api.Array, nlist: deepmd.dpmodel.array_api.Array, mapping: deepmd.dpmodel.array_api.Array | None = None, fparam: deepmd.dpmodel.array_api.Array | None = None, aparam: deepmd.dpmodel.array_api.Array | None = None, do_atomic_virial: bool = False, charge_spin: deepmd.dpmodel.array_api.Array | None = None) → dict[str, deepmd.dpmodel.array_api.Array]

translated_output_def() → dict[str, Any]