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.
Features:
- Convolute UV-Vis spectrum
- IR and Raman visualization
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Operating System:
All POSIX (Linux/BSD/UNIX-like OSes),
OS X, Linux
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Registered:
Ratings and Reviews
- Thumbs up: 5
- Thumbs down: 0
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Thumbs up
Very nice little program! And by little I mean it's fast and simple to use. Now I can do 10 times faster the same what I used to do with the combination grep + Excel. Double thumbs up!
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Thumbs up
Nice for greater insight into your Quantum Chemistry calculations.
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Code committed
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File released: /gausssum2/GaussSum 2.2.0/GaussSumexe-2.2.0.zip
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File released: /gausssum2/GaussSum 2.2.0/GaussSum-2.2.0.zip
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File released: /gausssum2/GaussSum 2.2.0/GaussSum-2.2.0.tar.gz
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Code committed
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Code committed
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Forum comment added
hyoweonjang commented on the RE: using GAMESS output for MO energy level plot forum thread -
Forum comment added
baoilleach commented on the RE: using GAMESS output for MO energy level plot forum thread
Rate and Review
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cclib
cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS.
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