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[ Quellcode: gausssum  ]

Paket: gausssum (3.0.2-2)

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gausssum

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parse and display Gaussian, GAMESS, and etc's output

GaussSum parses the output files of ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS calculations to extract useful information.

GaussSum uses GNUPlot to display the progress of geometry optimisations, density of states spectrum, UV-VIS spectra, IR spectra, Raman spectra, and electron density difference maps. It can also display all lines containing an arbitrary phrase and more.

Andere Pakete mit Bezug zu gausssum

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  • dep: gnuplot
    Command-line driven interactive plotting program.
    auch ein virtuelles Paket, bereitgestellt durch gnuplot-nox, gnuplot-qt, gnuplot-x11
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
  • dep: python3-cclib
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  • dep: python3-matplotlib
    Python based plotting system in a style similar to Matlab (Python 3)
  • dep: python3-numpy
    Fast array facility to the Python 3 language
  • dep: python3-tk
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