GaussSum / News: Recent posts

Announcing the release of GaussSum 2.0.4, which is available from:
http://gausssum.sf..net

This is a bug fix release which allows GAMESS frequency calculations containing imaginary frequencies to be dealt with correctly.

Announcing the release of GaussSum 2.0.2, which is available from:
http://gausssum.sf..net

This is a bug fix release which corrects the calculation of the COOP
for unrestricted calculations. Previously, only the alpha orbitals
were used in this calculation. Thanks to Juan Sotelo-Campos for
pointing this out.

GaussSum is a GUI application for analysing the results of computational chemistry calculations.

GaussSum 2.0 is now available from http://gausssum.sf.net.

Release Notes for Version 1.0.5: Bug Fixes and New Features
* Added the ability the extract Raman intensities for GAMESS calculations
* Bug fixed when using Hyperchem and trying to convolute UV-Vis spectrum
* Bug fixed when using EDDM.py that occured when a transition was chosen that did not contain any minor contributions

GaussSum is a parser for the output of the computational chemistry codes Gaussian and GAMESS.

A beta version of GaussSum 0.9 has been released. This includes a number of bug fixes, improvements in the use of temporary files, and the beginning of NMR support.

GaussSum, the computational chemistry parser, is now available with added support for 'difficult' log files.

The new release of GaussSum includes an ability to automate creation of electron density difference maps with Gaussian.

The first version of GaussSum is now available.
The project is still under active development so any feedback would be welcome.