Patches item #3414517, was opened at 2011-09-27 18:21 Message generated for change (Tracker Item Submitted) made by mbanck You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835079&aid=3414517&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: None Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Michael Banck (mbanck) Assigned to: Nobody/Anonymous (nobody) Summary: Fix NWChem CCSD input deck generation Initial Comment: The input deck generator for NWChem has a bug for CCSD type of computations. It misses the final "end" of the block, thus generating invalid input which leads to failure when run with nwchem. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835079&aid=3414517&group_id=165310 ------------------------------------------------------------------------------ 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. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2dcopy1 _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
