From: <ate...@us...> - 2012-07-03 00:01:28
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Revision: 971 http://cclib.svn.sourceforge.net/cclib/?rev=971&view=rev Author: atenderholt Date: 2012-07-03 00:01:21 +0000 (Tue, 03 Jul 2012) Log Message: ----------- Gaussian parser: fix to skip parsing MO coeffs from fragment calculations * Gaussian 09 supports fragment guess wavefunctions, which gives output similar to counterpoise calculations. This framework is used to skip parsing the fragment MO coeffs. * Add a small check to make sure nmo isn't re-assigned like was done for nbasis. 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. |