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