From: <bao...@us...> - 2006-08-23 13:54:19
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Revision: 321 Author: baoilleach Date: 2006-08-23 06:37:05 -0700 (Wed, 23 Aug 2006) ViewCVS: http://svn.sourceforge.net/cclib/?rev=321&view=rev Log Message: ----------- ADF parser: Bug fix for Os3CO12-D3h.out to parse out the HOMO. The problem was that the line length was not 77 but 78, perhaps due to it being a newer version of ADF. The code is now line length independent. However, a further bug has been identified. E orbitals should be duplicated, and not just entered once. As a result, it is expected that the length of mosyms and moenengergies is not equal to nmo. Modified Paths: -------------- trunk/src/cclib/parser/adfparser.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |