From: <bao...@us...> - 2007-02-24 13:44:05
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Revision: 545 http://svn.sourceforge.net/cclib/?rev=545&view=rev Author: baoilleach Date: 2007-02-24 05:44:03 -0800 (Sat, 24 Feb 2007) Log Message: ----------- A few fixes for GAMESS: (1) Was failing to parse a DFT calculation (2) frequencies: When leaving out the 5/6 rotations and translations, I found that they aren't always the first 5/6 (3) frequencies: Can now handle imaginary frequencies (returned as a negative value) Modified Paths: -------------- trunk/src/cclib/parser/gamessparser.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |