Analyze the output of ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS to extract and calculate useful info.. #Information extractor #Coop spectrum plotter #Adf output analyzer #Extract #Extraction #Analyze
GaussSum is a GUI application that can analyse the output of ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar and PC GAMESS to extract and calculate useful information.
This includes the progress of the SCF cycles, MO levels, geometry optimization, UV-Vis/IR/Raman spectra, MO contribution, etc.
What's new in GaussSum 3.0.1:
- Update in parsing library (to cclib 1.3.1+) adding support for several additional computational chemistry packages
- Avoid use of deprecated "oldnumeric" numpy module (Clyde Fare, Erlendur Jónsson)
- Correct name of output folder to gausssum3 (Angelo Rossi)
- Correct the size of the About box (Daniel Liedert)
GaussSum 3.0.1.1
add to watchlist add to download basket send us an update REPORT- runs on:
- Mac OS X (PPC & Intel)
- file size:
- 298 KB
- main category:
- Math/Scientific
- developer:
- visit homepage
Zoom Client
The official desktop client for Zoom, the popular video conferencing and collaboration tool used by millions of people worldwide
Microsoft Teams
Effortlessly chat, collaborate on projects, and transfer files within a business-like environment by employing this Microsoft-vetted application
4k Video Downloader
Export your favorite YouTube videos and playlists with this intuitive, lightweight program, built to facilitate downloading clips from the popular website
Windows Sandbox Launcher
Set up the Windows Sandbox parameters to your specific requirements, with this dedicated launcher that features advanced parametrization
Bitdefender Antivirus Free
Feather-light and free antivirus solution from renowned developer that keeps the PC protected at all times from malware without requiring user configuration
IrfanView
With support for a long list of plugins, this minimalistic utility helps you view images, as well as edit and convert them using a built-in batch mode
Context Menu Manager
Customize Windows’ original right-click context menu using this free, portable and open-source utility meant to enhance your workflow
calibre
Effortlessly keep your e-book library thoroughly organized with the help of the numerous features offered by this efficient and capable manager
7-Zip
An intuitive application with a very good compression ratio that can help you not only create and extract archives, but also test them for errors
ShareX
Capture your screen, create GIFs, and record videos through this versatile solution that includes various other amenities: an OCR scanner, image uploader, URL shortener, and much more
% discount
calibre
- calibre
- 7-Zip
- ShareX
- Zoom Client
- Microsoft Teams
- 4k Video Downloader
- Windows Sandbox Launcher
- Bitdefender Antivirus Free
- IrfanView
- Context Menu Manager
essentials
Click to load comments
This enables Disqus, Inc. to process some of your data. Disqus privacy policy