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GaussSum For Mac

3.0/5 21
GPL   

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  

Description

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changelog

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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)
Read the full changelog
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GaussSum 3.0.1.1

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  runs on:
Mac OS X (PPC & Intel)
  file size:
298 KB
  main category:
Math/Scientific
  developer:
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