Introduction

GaussSum parses the output files of ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS calculations to extract useful information.

It is written by Noel O'Boyle and is available for free under the GNU Public License. For up-to-date information, please see http://gausssum.sf.net.

GaussSum version 2.1 can do the following:

Release Notes for Version 2.1.0:

Release Notes for Version 2.0.6: Plotting the PDOS was failing due to 'type' issues with Numeric arrays (due to changes in cclib 0.6.1).

Release Notes for Version 2.0.5: Parsing was failing for Gaussian files with "pop=regular".

Release Notes for Version 2.0.4: Plotting vibrational frequencies now works for GAMESS calculations that have imaginary frequencies (bug fix in cclib).

Release Notes for Version 2.0.3: Plotting vibrational frequencies now works for frequencies that don't have symmetry labels.

Release Notes for Version 2.0.2: COOP now works for unrestricted calculations.

Release Notes for Version 2.0: main differences compared to GaussSum 1.0