Introduction

Symmetry is a library for materials symmetry analysis written by Professor Shyue Ping Ong for his class NANO 106 on Crystallography of Materials.

The code is mightier than the pen.

Latest Change Log

v0.1.0

  1. First actual working release.

Stable version

The version at the Python Package Index (PyPI) is always the latest stable release that will be hopefully, be relatively bug-free. The easiest way to install symmetry on any system is to use easy_install or pip, as follows:

easy_install symmetry

or:

pip install symmetry

Developmental version

The bleeding edge developmental version is at the NANO 106’s Github repo. The developmental version is likely to be more buggy, but may contain new features. The Github version include test files as well for complete unit testing. After cloning the source, you can type:

python setup.py install

or to install the package in developmental mode:

python setup.py develop

Running unittests

To run the very comprehensive suite of unittests included with the developmental version, make sure you have nose installed and then just type:

nosetests

in the symmetry root directory.

Acknowledgements

## Acknowledgements

The author uses the following textbooks and much of the code and material contained therein is based on concepts in these books. They are highly recommended for students of crystallography, symmetry and its implications for material properties.

  1. Structure of Materials: An Introduction to Crystallography, Diffraction and Symmetry by Marc De Graef and Michael E. McHenry
  2. Properties of Materials: Anisotropy, Symmetry, Structure by Robert E. Newnham

License

Symmetry is released under the BSD License. The terms of the license are as follows:

Copyright (c) 2014, Materials Virtual Lab
All rights reserved.

Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:

* Redistributions of source code must retain the above copyright notice, this
  list of conditions and the following disclaimer.

* Redistributions in binary form must reproduce the above copyright notice,
  this list of conditions and the following disclaimer in the documentation
  and/or other materials provided with the distribution.

* Neither the name of the {organization} nor the names of its
  contributors may be used to endorse or promote products derived from
  this software without specific prior written permission.

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

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