pychum.engine.eon
=================

.. py:module:: pychum.engine.eon


Submodules
----------

.. toctree::
   :maxdepth: 1

   /autoapi/pychum/engine/eon/_dataclasses/index
   /autoapi/pychum/engine/eon/_renderer/index


Classes
-------

.. autoapisummary::

   pychum.engine.eon.NWChemAtom
   pychum.engine.eon.NWChemSocketConfig
   pychum.engine.eon.NWChemRenderer


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

.. py:class:: NWChemAtom

   .. py:attribute:: symbol
      :type:  str


   .. py:attribute:: x
      :type:  float


   .. py:attribute:: y
      :type:  float


   .. py:attribute:: z
      :type:  float


.. py:class:: NWChemSocketConfig

   .. py:attribute:: atoms
      :type:  list[NWChemAtom]


   .. py:attribute:: settings_path
      :type:  pathlib.Path


   .. py:attribute:: socket_address
      :type:  str


   .. py:attribute:: unix_mode
      :type:  bool
      :value: False



   .. py:attribute:: mem_in_gb
      :type:  int
      :value: 2



   .. py:attribute:: output_path
      :type:  pathlib.Path


.. py:class:: NWChemRenderer(config: pychum.engine.eon._dataclasses.NWChemSocketConfig)

   .. py:attribute:: config


   .. py:attribute:: env


   .. py:method:: render(template_name: str)