6e9b05c93c | ||
---|---|---|
.. | ||
README | ||
mopac7.SlackBuild | ||
mopac7.info | ||
slack-desc |
README
MOPAC provides routines to solve the electronic structure of molecules on a semi-empirical level. Available methods include MNDO, MINDO/3, AM1 and PM3. Tis package contains MOPAC7 libraries to add semi-empirical functionality to ghemical and possibly to other computational chemistry apps. For modern MOPAC executables look at http://openmopac.net