Revision: 443
http://svn.sourceforge.net/cclib/?rev=443&view=rev
Author: baoilleach
Date: 2006-12-08 05:58:07 -0800 (Fri, 08 Dec 2006)
Log Message:
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New vib tests: Added tests for the values of the highest energy frequency and the maximum ir intensity. All of the programs use the same units (km mol-1) except for GAMESS and PCGAMESS which use weird units which I don't know how to convert. I've asked on the GAMESS users mailing list for help.
Modified Paths:
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trunk/test/testvib.py
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