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ML-MIX documentation
====================

Welcome to the documentation for ML-MIX, a LAMMPS plugin for performing efficient spatial mixing of different pair_styles!

.. image:: _static/images/flowchartv2.png
    :alt: Force mixing
    :align: center

This documentation covers:

* Setup and installation of the LAMMPS plugin and Python packages required for running the provided case studies.
* An overview of the plugin.
* Simple examples demonstrating how to use the plugin.
* Detailed LAMMPS-style documentation on the commands provided by the plugin.
* Documentation on the constrained fitting of small, fast linear ACE and UF3 potentials.

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   setup
   overview
   examples
   commands/index
   potential_fitting/index