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wasserman-group/pyCADMium
wasserman-group/pyCADMium PublicSolve the Kohn-Sham equations on a prolate spheroidal grid.
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wasserman-group/n2v
wasserman-group/n2v Publicn2v: Density-to-potential Inversion Suite
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oribtals_grid.py
oribtals_grid.py 1"""
2Obtains Molecular Orbitals on the Grid
3github.com/vhchavez.
4Ran with
5psi4 -> '1.4a3.dev160'
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