.. HQ XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
.. HQ X
.. HQ X   quippy: Python interface to QUIP atomistic simulation library
.. HQ X
.. HQ X   Copyright James Kermode 2010
.. HQ X
.. HQ X   These portions of the source code are released under the GNU General
.. HQ X   Public License, version 2, http://www.gnu.org/copyleft/gpl.html
.. HQ X
.. HQ X   If you would like to license the source code under different terms,
.. HQ X   please contact James Kermode, james.kermode@gmail.com
.. HQ X
.. HQ X   When using this software, please cite the following reference:
.. HQ X
.. HQ X   http://www.jrkermode.co.uk/quippy
.. HQ X
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Quippy library reference
========================

.. moduleauthor:: James Kermode <james.kermode@kcl.ac.uk>

This section contains library reference material for the core quippy
classes and modules. 


Core functionality
------------------

.. toctree::
   :maxdepth: 1

   atoms.rst
   io.rst
   potential.rst

Structure generation, manipulation and analysis
-----------------------------------------------

.. toctree::
   crack.rst
   clusters.rst
   find_surface_atoms.rst
   real_space_covariance.rst
   structures.rst
   topology.rst

Molecular Dynamics
------------------

.. toctree::
   dynamicalsystem.rst
   lotf.rst

Additional tools for Potentials
-------------------------------

.. toctree::
   cp2k.rst
   elasticity.rst
   polarization.rst
   electrostaticembed.rst

Mathematical and optimisation tools
-----------------------------------

.. toctree::
   linearalgebra.rst
   quaternions.rst
   spline.rst
   simplex.rst

Units, Data and Constants
-------------------------

.. toctree::
   periodictable.rst
   units.rst

Low level routines and datatypes
--------------------------------

.. toctree::
   system.rst
   connection.rst
   dictionary.rst
   domaindecomposition.rst
   table.rst
   mpi_context.rst
   paramreader.rst
   fortranio.rst
   farray.rst
   util.rst



