QMForge is a program used to analyze the results of quantum chemistry (DFT) calculations.

Output log files from Gaussian 98/03/09, ADF, GAMESS (US), GAMESS (UK), PC-GAMESS, Jaguar, NWChem, ORCA, and QChem are supported (see below). The following analyses are available:

MPA, CSPA, LPA, and OPA require a user-defined set of fragments, and prints the percent contributions those fragments make towards each molecular orbital in the molecule. Mayer's bond orders calculates the bond orders between each pair of atoms in the molecule. CDA and Fragment Analysis require three or more calculations (one for the entire molecule, and two fragment calculations), and provide information about the bonding interactions between fragments.

QMForge can also be used to:

Windows icon
QMForge 2.4 for Windows

$15

Mac icon
QMForge 2.4 for Mac

$15

Ubuntu icon
QMForge 2.4 for Ubuntu

$15

History   |   License

Last modified Feb 2018
Adam Tenderholt
webmaster@qmforge.net