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==============================================
POMSimulator documentation
==============================================

.. raw:: html

   <a href='https://github.com/petrusen/pomsimulator/blob/main/LICENSE.txt'>
    <img src='https://img.shields.io/badge/license-AGPL3.0-darkgreen' alt='License type' />
   </a>
   <a href='https://github.com/petrusen/pomsimulator/releases/latest'>
    <img src='https://img.shields.io/github/v/release/petrusen/pomsimulator' alt='License type' />
   </a>


Welcome
------------

This user guide provides an overview of the general workflow and functionalities of the method. For a more
detailed description of the method, we recommend reading the following two open-access articles:

   | Petrus, E., Segado, M. Bo, C.
   | Nucleation mechanisms and speciation of metal oxide clusters
   | *Chem. Sci.*, **2020**, 11, 8448-8456. https://doi.org/10.1039/D0SC03530K

   | Petrus, E., Buils, J., Garay-Ruiz, D., Segado-Centelles, M. Bo, C.
   | POMSimulator: An open-source tool for predicting the aqueous speciation and self–assembly mechanisms of polyoxometalates
   | *J. Comput. Chem.*, **2024**, https://doi.org/10.1002/jcc.27389

In case you should encounter problems or bugs, please write a short message to one of the following addresses: enricpz@icloud.com, jbuils@iciq.es,
dgaray@iciq.es

.. toctree::
   :maxdepth: 3
   :caption: Installation

   system_requirements
   installation_procedure

.. toctree::
   :maxdepth: 3
   :caption: User Guide

   intro
   simulation
   scaling
   diagrams

.. toctree::
   :maxdepth: 3
   :caption: Appendix

   publications
   license