mopactools
==========

A Python package for pre-processing, running, and post-processing calculations using the Molecular Orbital Package (MOPAC_).
As a starting point, this package contains a Python wrapper for the diskless, stateless API_ that was included in the most recent major release of MOPAC.
In the future, this package is intended to be a home to other functionality that might be developed by MOPAC's open-source community and user base.

.. _MOPAC: https://github.com/openmopac/mopac

.. _API: https://github.com/openmopac/mopac/tree/main/include

.. toctree::
   :maxdepth: 2

   installation
   api
   example