system
======

.. py:module:: system


Classes
-------

.. autoapisummary::

   system.YaffCell
   system.YaffSys


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

.. py:class:: YaffCell(*args, **kwargs)

   Bases: :py:obj:`IMLCV.base.datastructures.MyPyTreeNode`


   Base class for dataclasses that should act like a JAX pytree node.


   .. py:attribute:: rvecs
      :type:  jax.Array


   .. py:method:: create(sp: IMLCV.base.MdEngine.SystemParams)
      :staticmethod:



   .. py:property:: nvec


   .. py:property:: volume


.. py:class:: YaffSys(*args, **kwargs)

   Bases: :py:obj:`IMLCV.base.datastructures.MyPyTreeNode`


   Base class for dataclasses that should act like a JAX pytree node.


   .. py:attribute:: numbers
      :type:  jax.Array


   .. py:attribute:: masses
      :type:  jax.Array


   .. py:attribute:: pos
      :type:  jax.Array


   .. py:attribute:: cell
      :type:  YaffCell


   .. py:attribute:: charges
      :type:  jax.Array | None
      :value: None



   .. py:method:: create(md: IMLCV.base.MdEngine.MDEngine, tic: IMLCV.base.MdEngine.StaticMdInfo)
      :staticmethod:



   .. py:property:: natom


   .. py:property:: sp