mopac

Description

mopac website

MOPAC, the Molecular Orbital PACkage, is software for performing quantum chemistry calculations based on semiempirical thermochemistry models (e.g. AM1, PM3, PM6, PM7). MOPAC has been under active development since 1981, led by James J. P. Stewart.

Environment Modules

Run module spider mopac to find out what environment modules are available for this application.

Environment Variables

• HPC_MOPAC_DIR - installation directory
• HPC_MOPAC_BIN - binary directory

Categories

chemistry