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9 lines
382 B
Plaintext
9 lines
382 B
Plaintext
Ghemical is a computational chemistry software package,
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Ghemical relies on external code to provide the quantum-mechanical calculations.
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Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package,
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and are included in the source distribution. The
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MPQC package (GNU GPL) is used to provide ab initio methods.
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WWW: http://www.uku.fi/~thassine/projects/ghemical/
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