From: <bao...@us...> - 2006-08-23 16:08:46
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Revision: 325 Author: baoilleach Date: 2006-08-23 09:06:57 -0700 (Wed, 23 Aug 2006) ViewCVS: http://svn.sourceforge.net/cclib/?rev=325&view=rev Log Message: ----------- GAMESS-UK parser: Now parses vibfreqs and vibirs. We desperately need some unittests for these though, as I'm unsure of the units at this stage, and whether we should be including/excluding the rotational/vibrational ones or leave it to the user to sort those out. Modified Paths: -------------- trunk/src/cclib/parser/gamessukparser.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |