set_average_vdw needs to be re-factored

madscatt / zazmol

Library for defining molecular objects to create simulation and analysis programs To install: python setup.py install dependencies: numpy, mocker

GNU General Public License v3.0

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Open madscatt opened 7 years ago

madscatt commented 7 years ago

Need a consistent way to address properties in properties.py ... currently some bits are returned as dictionaries some are added to system objects.

madscatt commented 7 years ago

Need to add citation and check all numbers. Tests as well.