.. 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 .. HQ XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX Quippy library reference ======================== .. moduleauthor:: James Kermode This section contains library reference material for the core quippy classes and modules. High-level Python API --------------------- .. toctree:: :maxdepth: 1 potential.rst descriptors.rst dynamicalsystem.rst convert.rst Low-level API (Fortran wrappers) -------------------------------- .. toctree:: atoms.rst system.rst dictionary.rst