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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:
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Handle PBC (periodic boundary condition) calcs in Gaussian. Test case from Nuno Bandeira.
Modified Paths:
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trunk/data/regressionfiles.txt
trunk/src/cclib/parser/gaussianparser.py
trunk/test/regression.py
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