deepmd
======

.. py:module:: deepmd

.. autoapi-nested-parse::

   
   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.















   ..
       !! processed by numpydoc !!


Submodules
----------

.. toctree::
   :maxdepth: 1

   /autoapi/deepmd/__main__/index
   /autoapi/deepmd/backend/index
   /autoapi/deepmd/calculator/index
   /autoapi/deepmd/common/index
   /autoapi/deepmd/dpmodel/index
   /autoapi/deepmd/driver/index
   /autoapi/deepmd/entrypoints/index
   /autoapi/deepmd/env/index
   /autoapi/deepmd/infer/index
   /autoapi/deepmd/jax/index
   /autoapi/deepmd/lmp/index
   /autoapi/deepmd/loggers/index
   /autoapi/deepmd/main/index
   /autoapi/deepmd/pd/index
   /autoapi/deepmd/pt/index
   /autoapi/deepmd/tf/index
   /autoapi/deepmd/utils/index


Functions
---------

.. autoapisummary::

   deepmd.DeepPotential


Package Contents
----------------

.. py:function:: DeepPotential(*args, **kwargs)

   
   Factory function that forwards to DeepEval (for compatibility
   and performance).


   :Parameters:

       **\*args**
           positional arguments

       **\*\*kwargs**
           keyword arguments



   :Returns:

       :obj:`DeepEval`
           potentials











   ..
       !! processed by numpydoc !!