deepmd.dpmodel.model.make_model

Module Contents

Functions

make_model(T_AtomicModel)

Make a model as a derived class of an atomic model.

deepmd.dpmodel.model.make_model.make_model(T_AtomicModel: Type[deepmd.dpmodel.atomic_model.base_atomic_model.BaseAtomicModel])

Make a model as a derived class of an atomic model.

The model provide two interfaces.

1. the call_lower, that takes extended coordinates, atyps and neighbor list, and outputs the atomic and property and derivatives (if required) on the extended region.

2. the call, that takes coordinates, atypes and cell and predicts the atomic and reduced property, and derivatives (if required) on the local region.

Parameters:

T_AtomicModel

The atomic model.

Returns:

CM

The model.