[Ifeffit] new releases of Athena and Artemis

Bruce Ravel ravel at phys.washington.edu
Wed Sep 18 10:46:12 CDT 2002


Hi folks,

Today I posted new source tarballs of Athena and Artemis on my web
site.  A new Windows installer will be available later today from
Matt's web site.

This time there are some big changes.

1.  I am now distributing Athena and Artemis in a single source
    tarball called `horae-001.tar.gz'.
        http://homepage.mac.com/cparada/GML/HORAE.html

2.  Windows users should download and install the new installer
    package because there are several new library and example files.
    I will continue the practice of posting replacement executables
    when I _next_ update Athena and Artemis.

3.  I have started numbering Athena and Artemis differently.  Both
    programs are getting within striking distance of becoming the
    magical 1.0.  Because of that and other reasons, I want to start
    using actual version numbers rather than dates to identify the
    versions.  Athena is starting at 0.8 and Artemis at 0.5.  The
    version number on the source tarball will simply be an incremented
    counter unrelated to the version numbers of the programs.

4.  I have made a very large number of changes to Artemis.  I'll refer
    you to the change logs for all the details.  In addition to many,
    many squished bugs, the most important change is that reading in
    feffNNNN.dat files now works in a much more sensible manner.  You
    can read in individual feffNNNN.dat files or read in all at once
    by selecting the feff.inp file.  In either case, the feffNNNN.dat
    files should be grouped in a sensible manner in the list in the
    skinny part of the window.

5.  The other big new feature in Artemis is templates.  This is a
    scheme I am working on to help automate the creation of fitting
    models.  The idea is that after reading in data and a feff
    calculation, you can select, for example, "FirstShell" from the
    Templates menu.  Artemis reads an external file which described a
    prototypical first shell fit and generates guess, set, and path
    parameters that hopefully are close to an appropriate fitting
    model.  For copper data, you can hit the big green fit button
    right after reading in the template file and get a reasonable
    fit.  Some tweaking is usually necessary, but the templates are a
    decent start.

6.  The most interesting change to Athena is that you can now save
    your data as a "chi(k) record".  This is a special file that has
    the same structure as a normal Athena project file, but which
    contains only a single entry.  That entry is saved as chi(k)
    rather than as mu(E).  The purpose of this kind of file is for
    reading into Artemis.  The advantage of a chi(k) record over
    chi(k) column data is that the values for things like the Fourier
    transform parameters that you chose in Athena will be set in
    Artemis. 

As always, let me know about problems and feature requests,
Enjoy,
Bruce



-- 
 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
 Code 6134, Building 3, Room 222
 Naval Research Laboratory                          phone: (1) 202 767 5947
 Washington DC 20375, USA                             fax: (1) 202 767 1697

 NRL Synchrotron Radiation Consortium (NRL-SRC)
 Beamlines X11a, X11b, X23b, X24c, U4b
 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/



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