[cclib-svn] SF.net SVN: cclib: [389] trunk/src/cclib/parser/adfparser.py

[<ate...@us...>]

Revision: 389
          http://svn.sourceforge.net/cclib/?rev=389&view=rev
Author:   atenderholt
Date:     2006-10-25 13:45:12 -0700 (Wed, 25 Oct 2006)

Log Message:
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ADF parser: (Bug fix) If the calculation doesn't converge (ie. SCF NOT CONVERGED), throw a warning via the logger. It should be up to the user whether the mocoeffs/moenergies are to be trusted, but they should be warned. Discusion about whether it should throw error or critical instead of a warning can happen on cclib-devel if necessary.

Modified Paths:
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    trunk/src/cclib/parser/adfparser.py


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