Description
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.
User Reviews for GaussSum 8
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for GaussSum
GaussSum by Emily Thompson: Portable app for parsing ADF, GAMESS, Gaussian files. Clean layout, extract data easily. Perfect for analyzing SCF cycles.
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for GaussSum
GaussSum offers useful features for data analysis providing a seamless user experience.
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for GaussSum
GaussSum is an incredibly powerful tool for parsing ADF and GAMESS output files. The interface is user-friendly, and I love that it's portable. Highly recommend!
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for GaussSum
I’ve been using GaussSum for my research, and it has made analyzing molecular data so much easier. The plotting options are fantastic, too!
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for GaussSum
This app is a game-changer! It's clean, intuitive, and does exactly what I need it to do with ADF files. Five stars for sure!
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for GaussSum
GaussSum has streamlined my workflow significantly. The ability to extract various data types from output files is invaluable. Can't imagine working without it now!
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for GaussSum
Absolutely love GaussSum! It’s portable, efficient, and the plotting features are top-notch. A must-have for anyone dealing with computational chemistry.