Bugs item #3428358, was opened at 2011-10-25 11:50 Message generated for change (Comment added) made by ghutchis You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3428358&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: v 1.1.0 >Status: Pending >Resolution: Fixed Priority: 5 Private: No Submitted By: Ben Stein (stei7766) >Assigned to: Geoff Hutchison (ghutchis) Summary: Crash when loading formatted checkpoint files. Initial Comment: Avogadro nightly (c3794b8) crashes when loading formatted checkpoint files. A patch for gaussianset.cpp is attached. ---------------------------------------------------------------------- >Comment By: Geoff Hutchison (ghutchis) Date: 2012-06-14 18:25 Message: Sorry, I should have closed this a long time ago -- I fixed the bug not long after your bug report. Have you tried a more recently nightly? I'd like to confirm this as closed for v.1.1. (The new code should properly handle skipping orbitals up to "i", which I figure should be good enough for a while!) Thanks! ---------------------------------------------------------------------- Comment By: Ben Stein (stei7766) Date: 2011-10-27 14:17 Message: File is too big to attach, but here it is on dropbox: http://dl.dropbox.com/u/170166/ti.fchk.bz2 It only has one f function (and it is only a polarization function, so it doesn't really affect plotting), but that is enough to throw off the GTO counter. Ben ---------------------------------------------------------------------- Comment By: Geoff Hutchison (ghutchis) Date: 2011-10-27 10:01 Message: So you have an fchk file with f orbitals? Could you give us an example file? We don't have any examples of higher-order angular momentum cases, so it's extremely easy for bugs like this to slip in. Thanks very much, -Geoff ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3428358&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
