DDEC6 and Bader charge analysis, and get_dipole_moment implemented - #30
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bencomer wants to merge 13 commits into
Open
DDEC6 and Bader charge analysis, and get_dipole_moment implemented#30bencomer wants to merge 13 commits into
bencomer wants to merge 13 commits into
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I've added some features allowing for charge analysis and dipole moments. I also added some default and to_dict functionality. I think we'll need to clean up the tree a bit, just let me what you want me to do.