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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:
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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:
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trunk/src/cclib/parser/gaussianparser.py
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