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Distribution |
Debian unstable |
Abteilung |
science |
Quelle |
gausssum |
Version |
2.2.3-1 |
Maintainer |
Debichem Team <debichem-devel@lists.alioth.debian.org>
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Beschreibung |
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.
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Abhängig von | gnuplot, python, python-imaging-tk, python-numpy, python-support (>= 0.90.0), python-tk |
Offizielle Seiten |
Paket
Entwicklerinformationen
Bugs (Binärpaket)
Bugs (Quellpaket) |
Download |
all |
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