`deepmd.dpmodel.model.transform_output`

Module Contents

`fit_output_to_model_output`(→ Dict[str, numpy.ndarray])	Transform the output of the fitting network to
`communicate_extended_output`(→ Dict[str, numpy.ndarray])	Transform the output of the model network defined on

deepmd.dpmodel.model.transform_output.fit_output_to_model_output(fit_ret: Dict[str, numpy.ndarray], fit_output_def: deepmd.dpmodel.output_def.FittingOutputDef, coord_ext: numpy.ndarray, do_atomic_virial: bool = False) → Dict[str, numpy.ndarray][source]: Transform the output of the fitting network to the model output.

deepmd.dpmodel.model.transform_output.communicate_extended_output(model_ret: Dict[str, numpy.ndarray], model_output_def: deepmd.dpmodel.output_def.ModelOutputDef, mapping: numpy.ndarray, do_atomic_virial: bool = False) → Dict[str, numpy.ndarray][source]: Transform the output of the model network defined on local and ghost (extended) atoms to local atoms.