porereax
========

.. py:module:: porereax

.. autoapi-nested-parse::

   PoreReax is a Python package designed for analysing and setting up reactive molecular dynamics simulations using the ReaxFF force field. It provides tools for setting up simulations, sampling various molecular properties, and visualizing the results.



Submodules
----------

.. toctree::
   :maxdepth: 1

   /autoapi/porereax/angle/index
   /autoapi/porereax/bond_length/index
   /autoapi/porereax/charge/index
   /autoapi/porereax/density/index
   /autoapi/porereax/meta_sampler/index
   /autoapi/porereax/molecule_structure/index
   /autoapi/porereax/plot/index
   /autoapi/porereax/rdf/index
   /autoapi/porereax/regions/index
   /autoapi/porereax/sample/index
   /autoapi/porereax/simulate/index
   /autoapi/porereax/utils/index


Attributes
----------

.. autoapisummary::

   porereax.__version__


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

.. py:data:: __version__
   :value: '0.0.1'