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OpenFerro Documentation
=======================

OpenFerro is a Python package for on-lattice atomistic dynamics simulation. Built on `JAX <https://github.com/google/jax>`_, OpenFerro provides a high-performance framework for simulating lattice Hamiltonian models with GPU acceleration and auto-differentiation capabilities.

Key Features
------------

* **GPU Support**: Highly efficient for large-scale simulations with multi-GPU parallelization
* **Auto-differentiable**: Native support for enhanced sampling and Hamiltonian optimization
* **Modular Design**: Easy implementation of new interaction terms without deep codebase knowledge
* **Flexible Architecture**: Supports simultaneous simulation of R^n and SO(3) local order parameters

.. toctree::
   :maxdepth: 2
   :caption: Getting Started

   installation
   quickstart

.. toctree::
   :maxdepth: 2
   :caption: Theory

   theory-lattice-model
   theory-dynamics

.. toctree::
   :maxdepth: 2
   :caption: Use OpenFerro
   
   logic
   core_components
   guide_custum_engine

.. toctree::
   :maxdepth: 2
   :caption: Others

   units
   credits
   faq

Examples
--------

Check the ``examples/`` directory for various simulation examples:

* BaTiO3 cooling simulation
* bcc Fe heating
* Simple cubic Ising model
* PbTiO3/SrTiO3 superlattice

Contributing
------------

OpenFerro is open source under the MIT license. Contributions are welcome!

* Source Code: https://github.com/salinelake/OpenFerro
* Issue Tracker: https://github.com/salinelake/OpenFerro/issues

License
-------

This project is licensed under the MIT License.

.. Indices and tables
.. ==================

.. * :ref:`genindex`
.. * :ref:`modindex`
.. * :ref:`search`

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

   self
   api