Bugs item #3005028, was opened at 2010-05-20 20:29 Message generated for change (Tracker Item Submitted) made by rkanters You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3005028&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: User interface Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Rene Kanters (rkanters) Assigned to: Miguel (migueljmol) Summary: loss of feature in rev 12 Initial Comment: This could have happened a long time ago since I haven't been keeping my version up to date. But in the 11.x versions whenever you read a g03 output file with different input and standard orientations in a geometry optimization calculation, the AtomSetChooser would be able to show the same kind of orientations in the same 'folder'. The frequency calculation results would be in their own folder again. This makes it a lot easier to animate optimizations and stay within one set of orientations (so you don't get the flipping of the molecules). Between 11.6.x or so and 12 the reader has been modified so much that I can't really figure out any more how to set this up (even though I initially implemented it a long time ago). Sigh.... ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=3005028&group_id=23629 ------------------------------------------------------------------------------ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
