Hi all - I am starting out with the latest release of Artemis on Win XP (thought I would give the new and improved version a go since I like the idea of incorporating atoms in the fitting interface). I read in my data file and atoms file, got my feff.inp then attempted to generate my feff paths - Artemis asked me to pick an option (first ten, all etc) and gave me a new window with no paths listed and the message "Artemis trapped a warning! Message dumped to C:\Program Files\Ifeffit\horae\ARTEMIS.TRAP" Is Atoms now able to claculate feff paths and display them within Artemis or does it not yet have this capability? Many thanks, -- Mark Bondin PhD student School of Chemistry, University of Melbourne
On Tuesday 18 May 2004 08:22 pm, m.bondin@pgrad.unimelb.edu.au wrote:
Hi all - I am starting out with the latest release of Artemis on Win XP (thought I would give the new and improved version a go since I like the idea of incorporating atoms in the fitting interface). I read in my data file and atoms file, got my feff.inp then attempted to generate my feff paths - Artemis asked me to pick an option (first ten, all etc) and gave me a new window with no paths listed and the message "Artemis trapped a warning! Message dumped to C:\Program Files\Ifeffit\horae\ARTEMIS.TRAP" Is Atoms now able to claculate feff paths and display them within Artemis or does it not yet have this capability?
As I said here: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2004-May/000936.html it is my intention that all the features in the code work as advertised when I make a release. I said that Atoms was incorporated into Artemis and described its use in the draft of the document on my web site. Assuming you do not run into a bug, Artemis indeed works as you said. That said, 0.7.003 had a number of problems, many of which have been reported on the list. I have been hard at work for the last month squishing bugs and adding features. One bug I squished did have to do with path importation -- specifically what happens if you ask to import 10 paths and fewer than 10 were generated. In that case 0.7.003 fails poorly. 0.7.004 will proceed gracefully in that case. I am just about ready to release 0.7.004. I am at NSLS today, but I may get things together by the end of the week. Certainly by next week. Another thing I said in that post was this: "If I cannot replicate the problem you are seeing, I will not be not be able to fix it." I went on to explain how I can only replicate the problem if you demonstrate it to me. That remains true. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 222 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
participants (2)
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Bruce Ravel
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m.bondin@pgrad.unimelb.edu.au