Atoms

[Bruce Ravel <ravel@phys.washington.edu>]

Dear Feff users and developers,

Today it came to my attention that the Feff project is currently
distributing version 2.46b of Atoms on at least one part of its web
site.  This is a very strange choice.  That version of Atoms dates
back to 1996 -- yes, it is more than 6 years old!  Indeed, it predates
the development of Feff8 and is not able to write input files in the
format required by Feff8.


I strongly discourage any of you from using that antiquated version of
my program.  Instead, I suggest that you download the very latest
version of the code from my web site:
   http://feff.phys.washington.edu/~ravel/software/exafs/
The latest version of the code is written in the Perl programming
language.  The package that you download will contain a fully
graphical version of Atoms as well as a command-line version which
behaves identically to the old Fortran versions.  Both the graphical
and command line versions read the same input files as the old
program.

Installation of the new Atoms package is not difficult, although it
varies for different platforms.
Unix users:
  you will need to download the source code package and follow the
  simple instructions given on my web pages.  It should install
  without difficulty on any unix computer on which both perl and the
  perl/Tk package have been correctly installed.  Both perl and
  perl/Tk are commonly available packages on Linux and BSD
  distributions.
Windows users:
  installation is as simple as downloading the installation package,
  pointing, and clicking.
Macintosh OSX users:
  installation is a bit more challenging, but information can found on
  the web site.

You may also be interested in the web-based version of Atoms, which
uses the latest code base, at
   http://millenia.cars.aps.anl.gov/cgi-bin/atoms/atoms.cgi

If you must use the Fortran version of Atoms (and there are situations
where one must), please grab version 2.50 from my web site:
   http://leonardo.phys.washington.edu/~ravel/software/exafs/atoms250.f
This will, at least, write input files for Feff8, although it lacks
many of the features found in the latest code.  In any case, please
avoid using version 2.46b.

Regards,
B


-- 
 Bruce Ravel  ----------------------------------- ravel@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/