May 26, 2018
Computational chemistry software package
Ghemical is a computational chemistry software package,
Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package, and are included in the source distribution. The MPQC package GNU GPL is used to provide ab initio methods.