What is GaussSum?

GaussSum

GaussSum is a cool software tool that helps you make sense of output files from ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar, and PC GAMESS calculations. It digs into those files to pull out the info you really need.

Easy to Use and Portable

This handy program is portable, which means you can run it on your computer without any messy installation steps. Even better, it won't mess with your Windows registry!

Take It Anywhere

You can easily copy GaussSum onto any USB flash drive or other devices. This way, you can take it with you whenever you want to analyze ADF and GAMESS output files.

User-Friendly Layout

GaussSum has a clean and easy-to-navigate layout. You can adjust all the special settings without breaking a sweat. Just use the built-in browse button to import your files; drag-and-drop isn't available here. You can work with OUT, LOG, or ADFOUT file formats, plus it even handles compressed log files like ZIP, GZ, and BZ2!

Analyze Like a Pro

This software lets you see all lines containing specific phrases and keep tabs on SCF convergence progress and geometry optimization. Want molecular orbital info? GaussSum shows contributions from groups of atoms to the molecular orbits! It also extracts data about IR and Raman vibrations.

Plotting Options Galore

If you're into plotting options, you're in luck! You can create plots for density of state spectrum (and partial density for groups of atoms), crystal orbital overlap population (COOP) spectrum for bonding insights, UV-Vis spectrum as well as circular dichroism spectra. Don't forget about IR and Raman spectra too—there are general scaling options available!

Error Messages & Settings

You won't miss out on important details either; GaussSum shows error messages clearly. Plus, you can tweak settings related to search terms, frequencies, orbitals, and electronic transitions.

Your Go-To Tool for Analysis

In short, GaussSum comes equipped with everything you need to analyze data effectively—whether it's SCF cycles progress monitoring or plotting UV-Vis/IR/Raman spectra.

How Download Works

Go to the Softpas website, press the 'Downloads' button, and pick the app you want to download and install—easy and fast!