`deepmd.pt.model.atomic_model.dipole_atomic_model`

Module Contents

Model give atomic prediction of some physical property.

class deepmd.pt.model.atomic_model.dipole_atomic_model.DPDipoleAtomicModel(descriptor, fitting, type_map, **kwargs)[source]

Model 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.

apply_out_stat(ret: Dict[str, torch.Tensor], atype: torch.Tensor)[source]

Apply the stat to each atomic output. The developer may override the method to define how the bias is applied to the atomic output of the model.

Parameters: