From: <ate...@us...> - 2006-10-12 02:58:25
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Revision: 368 http://svn.sourceforge.net/cclib/?rev=368&view=rev Author: atenderholt Date: 2006-10-11 19:58:20 -0700 (Wed, 11 Oct 2006) Log Message: ----------- Gaussian parser: Added coreelectrons attribute to handle core electrons in a pseudopotential so that atomic charges can be calculated accurlately. Also required an update to ccget. Example files will be added once it's decided where they should go. Modified Paths: -------------- trunk/src/cclib/parser/gaussianparser.py trunk/src/scripts/ccget This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |