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GaussSum

  Analyzed about 2 months ago

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, geometry optimisation, UV-Vis/IR/Raman spectra, MO levels, MO contributions and more.

8.74K lines of code

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about 16 years since last commit

2 users on Open Hub

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Mostly written in Python
Licenses: gpl