Bugs item #2974164, was opened at 2010-03-21 12:54 Message generated for change (Tracker Item Submitted) made by gutow You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=2974164&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: File Input/Output Group: v11 Status: Open Resolution: None Priority: 5 Private: No Submitted By: Jonathan Gutow (gutow) Assigned to: Miguel (migueljmol) Summary: GAMESS reader mode vectors not with right energies Initial Comment: It appears that we have a cyclical offset in assigning vibrational mode vectors to energies in the GAMESS reader 11.9.35_dev . Highest energy is showing up with the motions of one of the rotations and one rotation is showing up with low energy bending. I think this is a file reader error and not the data file, but I haven\'t got time to check now. Logging this in so that I don\'t forget. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=2974164&group_id=23629 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
