Some tools for creating quantum chemistry input files; does things with Psi4 and gamess, mostly. So far it reads in XYZ formatted molecular coordinates and writes input files for GAMESS/Psi4 calculations.
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Some tools for creating quantum chemistry input files; does things with psi4 and gamess, mostly.
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jasonrig/molecule-utils
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Some tools for creating quantum chemistry input files; does things with psi4 and gamess, mostly.
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