Feature Requests item #3413649, was opened at 2011-09-24 16:40 Message generated for change (Tracker Item Submitted) made by ndamrauer You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835080&aid=3413649&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: Interface Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: niels Damrauer (ndamrauer) Assigned to: Nobody/Anonymous (nobody) Summary: altering atom order Initial Comment: Would it be possible to have a feature allowing the user to move around the atom order for a molecule. I would like to use constrained DFT which requires (I believe) that groups of atoms taking a constraint (such as a particular charge) be specified sequentially. Thanks ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835080&aid=3413649&group_id=165310 ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of 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-d2dcopy2 _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
