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)