deepmd.dpmodel.atomic_model.energy_atomic_model#
Classes#
Model give atomic prediction of some physical property. |
Module Contents#
- class deepmd.dpmodel.atomic_model.energy_atomic_model.DPEnergyAtomicModel(descriptor, fitting, type_map, **kwargs)[source]#
Bases:
deepmd.dpmodel.atomic_model.dp_atomic_model.DPAtomicModelModel give atomic prediction of some physical property.
- Parameters:
- descriptor
Descriptor
- fitting_net
Fitting net
- type_map
Mapping atom type to the name (str) of the type. For example type_map[1] gives the name of the type 1.