Happy New Year everyone! To welcome in the new year, I have made a new release of my codes. There are several changes in Athena, some improvement to the development branch of Artemis, and a few bug fixes to the stable branch of Artemis. Source code tarballs are now available at SourceForge and on my website. Complete lists of changes are available at http://leonardo.phys.washington.edu/~ravel/software/exafs/notes/ A Windows updater package will be available soon. The biggest new feature in Athena is a dialog for doing self absorption corrections. I coded up four different algorithms and made it easy to switch between them so you can compare different approaches to the problem. The document page built into Athena has all the details. Among the other new features are linear combination fits of standards to data using chi(k) spectra, an option for using the smoothed derivative to align or calibrate data, and lots of bug fixes and minor improvements to the user interface. The new releases of Artemis are all about bug fixes. Several recently reported problems were fixed in the stable branch and many lingering problems from the previous release of the development branch have been fixed. I wrote a few short web pages introducing all the new features in the development version of Artemis. Here's the link: http://leonardo.phys.washington.edu/~ravel/software/exafs/diana/ It's mostly screenshots and terse descriptions, but hopefully you'll find it useful. For the Windows users out there, I built a Windows executable of the development version for the first time. There is a link to it on that web page along with instructions for how to install it. I am eager to get more feedback from users about the development version so I can start thinking about moving it back down to the stable branch. Special thanks this time to all the people who were at my class at the Canadian Light Source User's Meeting in November. Many of the improvements to this release of Athena were suggested or inspired by Canucks. Thanks! B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 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/
Thanks a lot Bruce! Everything went smooth with me (as you well know, I run the programs on a Mac OSX). I simply ran the horae_update command and followed instructions (the make command is run automatically, the make install I had to do myself, after being root and being in the horae_047 directory). It produced Athena 0.8.035, Artemis 0.7.013 and diana 007. I am testing the program, but not as intensely as done in the past summer. We are trying to implement feff in a simplex routine to find the best fit while moving the geometry of the metal ion surrounding .... Will let you know how things are going. Ciao, Stefano -- ____________________________________________ Stefano Ciurli Professor of Chemistry Department of Agro-Environmental Science and Technology University of Bologna Viale Giuseppe Fanin, 40 I-40127 Bologna Italy Phone: +39-051-209-6204 Fax: +39-051-209-6203 "Fatti non foste a viver come bruti, ma per seguir virtute e canoscenza" Dante Alighieri - Inferno - Canto XXVI "Ihr seid bestimmt, nicht Tieren gleich zu leben, Nein, Tugend zu erringen und Erkenntnis" "Ye were not form'd to live the life of brutes, But virtue to pursue and knowledge high"
participants (2)
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Bruce Ravel
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Stefano Ciurli