mirror of
https://github.com/Ponce/slackbuilds
synced 2024-11-24 10:02:29 +01:00
4248415dde
Signed-off-by: Erik Hanson <erik@slackbuilds.org> |
||
---|---|---|
.. | ||
mopac7.info | ||
mopac7.SlackBuild | ||
README | ||
slack-desc |
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