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Source: gausssum
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Standards-Version: 4.1.4
Build-Depends: debhelper (>> 11~),
dh-python,
python-numpy,
python3 (>> 3.1),
python3-numpy,
python3-setuptools
Build-Depends-Indep: tofrodos
Homepage: http://gausssum.sourceforge.net
Vcs-Browser: https://salsa.debian.org/debichem-team/gausssum
Vcs-Git: https://salsa.debian.org/debichem-team/gausssum.git
Package: gausssum
Architecture: all
Depends: gnuplot,
python3-cclib,
python3-matplotlib,
python3-tk,
${misc:Depends},
${python3:Depends}
Description: 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.
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