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libcasm-xtal
============

The libcasm-xtal package is the CASM crystallography module. This includes:

- Data structures for representing lattices, crystal structures, and
  degrees of freedom (DoF).
- Methods for enumerating superlattices, making superstructures,
  finding primitive and reduced cells, and finding symmetry
  operations.


About CASM
==========

The libcasm-xtal package is part of the CASM_ open source software package, which is designed to perform first-principles statistical mechanical studies of multi-component crystalline solids.

CASM is developed by the Van der Ven group, originally at the University of Michigan and currently at the University of California Santa Barbara.

For more information, see the `CASM homepage <CASM_>`_.


License
=======

GNU Lesser General Public License (LGPL). Please see the LICENSE file available on GitHub_.


Documentation
=============

.. toctree::
    :maxdepth: 2

    Installation <installation>
    Usage <usage>
    Prim Examples <examples/prim/index>
    Reference <reference/libcasm/index>
    Bibliography <bibliography>

libcasm-xtal is available on GitHub_.

.. _CASM: https://prisms-center.github.io/CASMcode_docs/
.. _GitHub: https://github.com/prisms-center/CASMcode_crystallography