9 lines
382 B
Plaintext
9 lines
382 B
Plaintext
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.
|
|
|
|
WWW: http://www.uku.fi/~thassine/projects/ghemical/
|