Simple Hückel Molecular Orbital Solver

A Python package for solving simple Hückel systems.

The following parameters for a molecule are calculated:

Installation

$ python setup.py install

Unit tests are run using nose (including coverage):

$ python setup.py nosetests

Name	Name	Last commit message	Last commit date
Latest commit randlet add version Oct 5, 2012 c90d7a7 · Oct 5, 2012 History 18 Commits
shmo	shmo	add version	Oct 5, 2012
.gitignore	.gitignore	updated to use nosetests including coverage	May 10, 2012
LICENSE.txt	LICENSE.txt	project layout	Mar 30, 2012
README.rst	README.rst	added calculated parameters	May 11, 2012
requirements.txt	requirements.txt	added requirements.txt	May 10, 2012
setup.cfg	setup.cfg	updated to use nosetests including coverage	May 10, 2012
setup.py	setup.py	changed too few electrons test and adde set_num_electrons method	Jul 20, 2012