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gausssum

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.

Homepage:
Package version:2.2.4-1
Architecture:all
Distribution:Debian
Filename:gausssum_2.2.4-1_all.deb

/usr/share/man/man1/gausssum.1.gz

GAUSSSUM(1)                                              GAUSSSUM(1)



NAME
       gausssum  - parses the output of a Gaussian, GAMESS or Hyper‐
       Chem job

SYNOPSIS
       gausssum [filename]

DESCRIPTION
       gausssum parses the output file  of  a  Gaussian,  GAMESS  or
       HyperChem  computational  chemistry  job  to  extract  useful
       information. It uses gnuplot(1) to graphi
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/usr/share/doc/gausssum/changelog.Debian.gz

gausssum (2.2.4-1) unstable; urgency=low

  * New upstream release.
  * debian/control (Standards-Version): Bumped to 3.9.1.

 -- Daniel Leidert (dale) <daniel.leidert@wgdd.de>  Sun, 01 Aug 2010 22:19:47 +0200

gausssum (2.2.3-1) unstable; urgency=low

  * New upstream release.
  * debian/control (Standards-Version): Bumped to 3.8.4.
    (Build-Depends): Fixed build-depends-on-python-dev-with-no-a
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/usr/share/doc/gausssum/changelog.gz

<?xml version="1.0" encoding="UTF-8" standalone="no"?>
Introduction
Prev   Next
===============================================================================
 Introduction
GaussSum parses the output files of ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar
and PC GAMESS calculations to extract useful information.
It is written by Noel O'Boyle and is available for free under the GNU Public
License. Fo
more»

/usr/share/doc/gausssum/changelog.html.gz

<?xml version="1.0" encoding="UTF-8" standalone="no"?>
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 
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/usr/share/doc/gausssum/copyright

This package was debianized by Li Daobing <lidaobing@gmail.com> on
Mon, 17 Jan 2005 19:46:32 +0800. 
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