Source code for deepmd.dpmodel.atomic_model.energy_atomic_model

# SPDX-License-Identifier: LGPL-3.0-or-later
from deepmd.dpmodel.fitting.ener_fitting import (
    EnergyFittingNet,
    InvarFitting,
)

from .dp_atomic_model import (
    DPAtomicModel,
)


[docs] class DPEnergyAtomicModel(DPAtomicModel): def __init__(self, descriptor, fitting, type_map, **kwargs): if not ( isinstance(fitting, EnergyFittingNet) or isinstance(fitting, InvarFitting) ): raise TypeError( "fitting must be an instance of EnergyFittingNet or InvarFitting for DPEnergyAtomicModel" ) super().__init__(descriptor, fitting, type_map, **kwargs)