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)
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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