GaussSum

9 Recommendations
135 Downloads (This Week)
Last Update:
Download GaussSum-2.2.4.tar.gz
Browse All Files
Windows BSD Mac Linux

Description

GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.

GaussSum Web Site

Features

  • Convolute UV-Vis spectrum
  • IR and Raman visualization

Update Notifications





User Ratings

 
 
9
0
Write a Review

User Reviews

  • Posted by DPAS82 2012-10-22

    Brilliant - simple and very useful (I can only attest to G03/G09). Does exactly what I need without any fuss.

  • Posted by Rustam788 2013-04-06

    very good project, thanks!

Read more reviews

Additional Project Details

Languages

English

Intended Audience

Science/Research

Programming Language

Python

Registered

2003-08-23

Icons must be PNG, GIF, or JPEG and less than 1 MiB in size. They will be displayed as 48x48 images.