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Programming Languages: Python

License: GNU General Public License version 2.0 (GPLv2)

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browse code, statistics, last commit on 2011-12-20 svn co https://gausssum.svn.sourceforge.net/svnroot/gausssum gausssum

browse code, statistics cvs -d:pserver:anonymous@gausssum.cvs.sourceforge.net:/cvsroot/gausssum login

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  • Followup: RE: how to apply the updated cclib

    Sorry for the delay in replying. To update the cclib in GaussSum, just replace gamessparser.py in GausssSum by the one in cclib. - Noel.

    2012-02-21 05:57:09 PST by baoilleach

  • how to apply the updated cclib

    I'm trying to plot the [b]frequencies[/b] calculated from [b]GAMESS-US[/b] and running into this: cclib has problems parsing hess_water.log I then wrote to cclib. I just got noticed that "[quote][u]Your file is parsed correctly as of r951. Enjoy! It seems GAMESS-US added some extra output to the normal coord. analysis, including symmetry details which actually caused the problem...

    2012-01-31 08:05:11 PST by fwang2011

  • Blank lines in 'Groups.txt' cause crash

    Blank lines at the end of Groups.txt for creating PDOS cause a crash with an incomprehensible string of Python errors. If the format is inevtiably fragile, this could be pointed out in the documentation: http://gausssum.sourceforge.net/DocBook/ch07s02.html.

    2012-01-30 01:34:53 PST by nobody

  • GaussSum

    baoilleach committed revision 162 to the GaussSum SVN repository, changing 4 files.

    2011-12-20 10:05:44 PST by baoilleach

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