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1. moly moly Public

   Molecular Visualization powered by Plotly

   Python 18 4

2. wasserman-group/pyCADMium wasserman-group/pyCADMium Public

   Solve the Kohn-Sham equations on a prolate spheroidal grid.

   Python 9 7

3. wasserman-group/n2v wasserman-group/n2v Public

   n2v: Density-to-potential Inversion Suite

   Python 23 10

4. oribtals_grid.py oribtals_grid.py

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   """

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   Obtains Molecular Orbitals on the Grid

   3

   github.com/vhchavez. 

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   Ran with 

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   psi4 -> '1.4a3.dev160'