Bugs item #3202757, was opened at 2011-03-08 08:33 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3202757&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: https://www.google.com/accounts () Assigned to: Nobody/Anonymous (nobody) Summary: SOMO, LUMO, HOMO orbitals Initial Comment: In visualizing orbitals from formated checkpointfiles, Avogadro doesn't recognize SOMO apart from LUMO. For example, when I read an open shell, lumo is in fact somo, and homo is in fact somo-1 orbital. Is it possible to make a modification as to separate viewing of alpha and beta electrons and to point out where is the border between populated and unpopulated orbitals. Thank you! Davor Sakic [email protected] MacOSX 10.6. Snow Leopard Avogadro 1.0.1 ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3202757&group_id=165310 ------------------------------------------------------------------------------ What You Don't Know About Data Connectivity CAN Hurt You This paper provides an overview of data connectivity, details its effect on application quality, and explores various alternative solutions. http://p.sf.net/sfu/progress-d2d _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
