Bugs item #3538354, was opened at 2012-06-27 03:38 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3538354&group_id=165310
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: Commands / Extensions Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: Reads molpro input geometry of optimization output file? Initial Comment: Using 1.1.0 from nightly build on Mac OS X. When loading molpro output file of a geometry optimization, the visualisation of vibrations works great, but the geometry which is loaded belongs to the input and not the output(!) Can you reproduce this? Would it be possible to switch between both with an option somewhere? (i.e. check your input geometry was good, and see what the final geometry looks like?) Thanks ever so much for your hard work! ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3538354&group_id=165310 ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
