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A converter from XYZ to GAMESS file

Project description

XYZ to GAMESS file converter

This is a simple package You can use it by calling

from gmsfile import gms





This will convert your xyz file to a gamess input file that you can run in GAMESS for optimization of a molecule.

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gmsfile-0.1.4.tar.gz (3.1 kB view hashes)

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gmsfile-0.1.4-py3-none-any.whl (5.5 kB view hashes)

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