deepmd.jax.utils.neighbor_stat
==============================

.. py:module:: deepmd.jax.utils.neighbor_stat


Classes
-------

.. autoapisummary::

   deepmd.jax.utils.neighbor_stat.NeighborStat


Module Contents
---------------

.. py:class:: NeighborStat(ntypes: int, rcut: float, mixed_type: bool = False)

   Bases: :py:obj:`deepmd.utils.neighbor_stat.NeighborStat`


   
   Neighbor statistics using JAX.


   :Parameters:

       **ntypes** : :class:`python:int`
           The num of atom types

       **rcut** : :class:`python:float`
           The cut-off radius

       **mixed_type** : :ref:`bool <python:bltin-boolean-values>`, :obj:`optional`, default=False
           Treat all types as a single type.














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   .. py:attribute:: op


   .. py:attribute:: auto_batch_size


   .. py:method:: iterator(data: deepmd.utils.data_system.DeepmdDataSystem) -> collections.abc.Iterator[tuple[numpy.ndarray, float, str]]

      
      Iterator method for producing neighbor statistics data.






      :Yields:

          :obj:`np.ndarray <numpy.ndarray>`
              The maximal number of neighbors

          :class:`python:float`
              The squared minimal distance between two atoms

          :class:`python:str`
              The directory of the data system










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   .. py:method:: _execute(coord: numpy.ndarray, atype: numpy.ndarray, cell: Optional[numpy.ndarray])

      
      Execute the operation.


      :Parameters:

          **coord**
              The coordinates of atoms.

          **atype**
              The atom types.

          **cell**
              The cell.














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