Source code for deepmd

# SPDX-License-Identifier: LGPL-3.0-or-later
"""DeePMD-kit is a package written in Python/C++, designed to
minimize the effort required to build deep learning-based model
of interatomic potential energy and force field and to perform
molecular dynamics (MD).

The top module (deepmd.__init__) should not import any third-party
modules for performance.
"""

try:
    from deepmd._version import version as __version__
except ImportError:
    from .__about__ import (
        __version__,
    )


[docs] def DeepPotential(*args, **kwargs): """Factory function that forwards to DeepEval (for compatbility and performance). Parameters ---------- *args positional arguments **kwargs keyword arguments Returns ------- DeepEval potentials """ from deepmd.infer import ( DeepPotential, ) return DeepPotential(*args, **kwargs)
__all__ = [ "__version__", "DeepPotential", ]