ATOMS is a program providing crystallographic functionality for the X-ray absorption spectroscopist. It's primary function is to generate input files for the popular XAFS theory code, FEFF, from crystallographic data.

ATOMS is distributed as part of the package containing all of my EXAFS codes. To get ATOMS, install the entire package.

The programming tools in ATOMS can also be used for many other purposes, including making other useful lists of atomic coordinates, making calculations using tables of absorption coefficients, and simulating powder diffraction and DAFS spectra.

I have retired the GUI version -- that code base is old and difficult for me to maintain. The most important chores performed by ATOMS have been incorporated into ARTEMIS and I will continue to support the command-line and web version of ATOMS. (Look in the `scripts/' subdirectory of the source code tarball for the various scripts that are not installed by default.) I currently have no plans to work on GUI versions of the powder diffraction or DAFS simulators. A proper GUI for FEFF has been on the back-burner for years and may someday happen.

ATOMS 3.0 is written entirely in Perl and uses object-oriented methods for handling crystallographic data. The underlying functionality of ATOMS is contained in reusable Perl modules which contain interfaces to a crystallographic database and elemental data (such as the McMaster tables). This version of ATOMS makes obsolete the old version written in Fortran.

ATOMS is covered by the terms of the Perl Artistic License. Among other things, this means that ATOMS and all code associated with ATOMS will be freely available and redistributable. ATOMS will continue to inter-operate with FEFF as well as my EASE project, but the use of the Artistic License is intended to foster reuse of my work in other contexts and to encourage collaboration between myself and other developers.

The old Fortran version (but you should be using the new Perl version!)

• Fortran Source, version 2.50
• Document for version 2.50: PDF file   (texi source file)
• Limitations of the old fortran code

Disclaimer

While the ATOMS homepage was kindly hosted by the FEFF Project for many years, ATOMS is not managed by, distributed by, or associated in any way with the University of Washington. For any questions concerning the licensing or redistribution of ATOMS which are not covered in the Perl Artistic License, please contact Bruce Ravel.