From: <bao...@us...> - 2009-02-08 16:28:17
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Revision: 840 http://cclib.svn.sourceforge.net/cclib/?rev=840&view=rev Author: baoilleach Date: 2009-02-08 16:28:12 +0000 (Sun, 08 Feb 2009) Log Message: ----------- Handle PBC (periodic boundary condition) calcs in Gaussian. Test case from Nuno Bandeira. Modified Paths: -------------- trunk/data/regressionfiles.txt trunk/src/cclib/parser/gaussianparser.py trunk/test/regression.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |