From: Adam T. <ate...@gm...> - 2013-02-18 18:40:12
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I think a file that's a few MB should suffice. The most time consuming parts of parsing a logfile are usually the Overlap matrix and MO coeffs, so make sure these sections are printed. Maybe a second file containing an optimization with a large number of atoms/steps would be useful. These files don't necessarily need to go in cclib datafiles or be public domain if you have some logfiles from research projects, since I just want to make sure the progress is ok and provides useful info. Adam On Sun, Feb 17, 2013 at 5:44 PM, Karol M. Langner <kar...@gm...>wrote: > I can produce one. How large should it be? > > - Karol > > On Feb 10 2013, ate...@us... wrote: > > Revision: 1029 > > http://sourceforge.net/p/cclib/code/1029 > > Author: atenderholt > > Date: 2013-02-10 01:05:13 +0000 (Sun, 10 Feb 2013) > > Log Message: > > ----------- > > Add progress dialog support to the GAMESS parser > > > > * Unfortunately, there isn't a large enough file to truly test it. > > > > Modified Paths: > > -------------- > > trunk/src/cclib/parser/gamessparser.py > > > > This was sent by the SourceForge.net collaborative development platform, > the world's largest Open Source development site. > > > > > > > ------------------------------------------------------------------------------ > > Free Next-Gen Firewall Hardware Offer > > Buy your Sophos next-gen firewall before the end March 2013 > > and get the hardware for free! Learn more. > > http://p.sf.net/sfu/sophos-d2d-feb > > _______________________________________________ > > cclib-svn mailing list > > ccl...@li... > > https://lists.sourceforge.net/lists/listinfo/cclib-svn > > -- > written by Karol M. Langner > Mon Feb 18 02:43:48 CET 2013 > |