wxPython application for interactively investigating Simple Hückel Molecular Orbital (SHMO) systems.
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Orbis is a wxPython application for interactively investigating simple Hückel systems.
You can draw molecules using the sketchpad and have the following parameters for the system calculated:
$ python setup.py install
Unit tests are run using nose (including coverage):
$ python setup.py nosetests
wxPython application for interactively investigating Simple Hückel Molecular Orbital (SHMO) systems.