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Welcome to surface-pd's documentation!
======================================
The Surface Phase Diagram Generator (**surface-pd**) is an open-source Python
package designed to automate surface reconstruction enumeration and surface
phase diagram generation.

This program uses density functional theory (DFT) energies to calculate the
surface free energy of each reconstruction. It can be directly used for surface
enumeration of catalysts, electrodes, and metal surfaces, as well as for
studying corrosion on surfaces.

If you have any questions or issues, please contact:

**Xinhao Li**, xinhao.li@columbia.edu and **Alexander Urban**, a.urban@columbia.edu

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

   introduction
   installation
   release_policy
   theory
   tutorials
   modules
   how_to_cite

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

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