From: <bao...@us...> - 2006-11-30 14:06:20
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Revision: 432 http://svn.sourceforge.net/cclib/?rev=432&view=rev Author: baoilleach Date: 2006-11-30 06:06:17 -0800 (Thu, 30 Nov 2006) Log Message: ----------- Fixed open babel bridge: (1) No longer depends on pyopenbabel. (2) Weird Numeric effects caused SetVector to choke. Needed to convert the coords array to a list using .tolist() before SetVector would accept the parameters. Modified Paths: -------------- trunk/src/cclib/bridge/cclib2openbabel.py This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |