From: <la...@us...> - 2007-09-27 18:08:14
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Revision: 762 http://cclib.svn.sourceforge.net/cclib/?rev=762&view=rev Author: langner Date: 2007-09-27 11:08:09 -0700 (Thu, 27 Sep 2007) Log Message: ----------- One more conditioned return to cope with counterpoise calcualtions and parse only the entire basis set (the logical choice). Parsing output from such jobs still gives non-standard results for other attributes (scfenergies, etc.), since they are parsed for both the supermolecule and all fragments. Modified Paths: -------------- trunk/src/cclib/parser/gaussianparser.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |