aiida-reoptimize documentation
=============================

``aiida-reoptimize`` is a framework for running advanced optimization workflows in
computational materials science and chemistry, leveraging AiiDA workchains and the
PyMOO optimization library. It supports lattice and atomic-position optimization for
CRYSTAL and FLEUR simulation engines.

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

   getting-started

.. toctree::
   :maxdepth: 2
   :caption: User Guide

   dynamic-workflows
   static-workflows
   optimizers
   structure-utils

.. toctree::
   :maxdepth: 2
   :caption: Reference

   examples
   api/base
   api/optimizers
   api/structure
   api/problems
   api/workflows

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

* :ref:`genindex`
* :ref:`modindex`