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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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molecule-utils

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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