mopac - Molecular energy calculation program

Property Value
Distribution NetBSD 7.0
Repository NetBSD i386
Package filename mopac-7.0nb1.tgz
Package name mopac
Package version 7.0nb1
Package release -
Package architecture i386
Package type tgz
Category biology math
License -
Maintainer -
Download size 618.14 KB
Installed size 3.68 MB
MOPAC is a general-purpose semi-empirical molecular orbital package for the
study of chemical structures and reactions. The semi-empirical Hamiltonians
MNDO, MINDO/3, AM1, and PM3 are used in the electronic part of the
calculation to obtain molecular orbitals, the heat of formation and its
derivative with respect to molecular geometry. Using these results MOPAC
calculates the vibrational spectra, thermodynamic quantities, isotopic
substitution effects and force constants for molecules, radicals, ions, and
polymers.  For studying chemical reactions, a transition state location
routine and two transition state optimizing routines are available.


Package Version Architecture Repository
mopac-7.0nb1.tgz 7.0nb1 amd64 NetBSD
mopac - - -


Name Value
libf2c >= 20090201nb3


Type URL
Binary Package mopac-7.0nb1.tgz
Source Package mopac

Install Howto

Install mopac tgz package:

# pkg_add mopac

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