Bugs item #3375623, was opened at 2011-07-22 08:01 Message generated for change (Settings changed) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3375623&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: Application Group: v12 >Status: Closed Resolution: Fixed Priority: 5 Private: No Submitted By: Giacomo Mulas (gmulas) Assigned to: Bob Hanson (hansonr) Summary: regression from version 11 in displaying NWChem results Initial Comment: If I load the output of a vibrational analysis by NWChem (v6.0 even if I don't think version is relevant) with the latest released jmol, vibrational modes are rendered properly, but IR intensity is not shown among properties in the AtomSetChooser. It is properly displayed in versions 11.8.18, 11.2.1 and probably earlier ones. I attach one such output (gzipped) to reproduce the problem. ---------------------------------------------------------------------- Comment By: Bob Hanson (hansonr) Date: 2011-07-22 09:24 Message: 12.0 should work, just not 12.1. I've fixed that but need to fix a few other things before uploading. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3375623&group_id=23629 ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
