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Program documentation as well as various things I have written that were not in the original agreement with the OTT are available on this page. All of the documentation listed here is available in several other formats, including GNU info, LaTeX, plain text, and dvi. Contact me if you would like documentation in one of those formats. The rest of this page contains links to scripts I have written in perl and in elisp.

Program Documentation

Atoms, v. 2.46b

• The Atoms Homepage
• HTML
• PostScript
• Plain ASCII

Sasaki Tables

• My Sasaki table project. (Kinda lame!)

XANES, v 0.40

XANES is a package for ab initio full multiple scattering calculations of x-ray absorption near edge structure. If you have a license for FEFF7 and you are willing work with code that is in a beta stage of development, drop me a line and maybe we can work something out!

• HTML document
• postscript document

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Emacs lisp scripts

Gnuplot Mode for Emacs

Version 0.5j, upgraded 9 September, 1999

FUSE: The FEFF/UWXAFS System for Emacs

Version 0.5.9, upgraded 6 December, 1998
Follow this link for the no-tables version of this page.

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Various perl scripts

Perl modules for use with Feff and Feffit

I have begun collecting bits and pieces of tools I have written over the years into a more structured form. These are perl modules intended to be installed the same way that you might install something from CPAN. See the answer to the question "How do I install a CPAN module?" on the Perl FAQ.

Feffit::Rdlog

• This is an object oriented perl module for obtaining the results of a Feffit run from the log and prm files. Using Feffit::Rdlog allows you to quickly write short scripts to distill information out of a large number of log and prm files.
• The latest is version 0.12 from 23 April 1999.
• Follow this link to an html version of the POD documentation for Feffit::Rdlog.
• Follow this link to the README file that comes with Feffit::Rdlog.
• Here is the Feffit::Rdlog module. It uses the File::Spec module, which is not part of the stadard perl distribution.
• Here is a simple script which uses Feffit::Rdlog. It reads a list of input names from the command line and writes a report for each variable used in the fits. This is not a very robust script as it assumes that you used the same variables in each fit specified on the command line. It is handy for a set of fits with an extrinsic parameter (i.e. temperature) which changes.

INTRP: summarize the output file and scattering path structure of a FEFF run

intrp is a perl script which presents a synopsis of a FEFF run. It reads feff.inp, paths.dat and files.dat and generates an easy-to-read listing of the scattering paths. This should work with any of versions 5, 6, or 7 of FEFF. intrp writes its output to a plain text file or, optionally, to a nicely formatted LaTeX file. Usage instructions are embedded within the script. Use the -h command line switch to see the brief help message and the -H switch to see the complete help. This script is known to work on recent versions of MacPerl.

• The perl script
• An example output file
• The same example, but nicely typeset using the latex output option.
• The help message from the -H switch marked up with html
• The latex output file requires several style files that may or may not be installed on your computer.
  1. The longtable style file
  2. The dcolumn style file
  3. The array style file

FROBNICATE -- FEFF Remote Operation By Network Interaction: Calculate, Archive, Then Email

FROBNICATE is a bit of hackery whose purpose is to automate sequences of calculations, particularly when performed on a remote machine accessed by telnet or ssh. Take a look at the FROBNICATE homepage for details.

rgb2tex.pl: Using X11 colors with latex and pstricks

rgb2tex.pl is a perl script which converts the X11 color definitions found in the rgb.txt file into definitions for the \color command from the pstricks package. This allows you to use X11 colors in the postscript output of your latex documents.

• Here is the rgb2tex.pl script
• Here is the output file. This can be used in the body of your latex document by \input{rgb.tex}.
• Here is a latex document demonstrating the use of rgb.tex.
• Here is the postscript output from colors.tex.

The next several items are rather old and will perhaps be updated eventually

File utilities for data from NSLS beamline X11 and other data formats

• A readme file
• fixmac, convert new style X11 files to a format convenient for unix and into xmu files.
• ns2xmu, convert raw data files from fixmac into xmu files.
• nsls, convert old style X11 files to xmu files.
• ssrl, convert ascii data files from SSRL beamline 4.1 (and others?)

Various scripts for use with Feff, Atoms, and Feffit

• A readme file
• run.pl, a wrapper for running FEFF and the UWXAFS programs.
• fd2fi.pl, converts files.dat from FEFF into a input template for FEFFIT.
• at2xyz.pl, converts a feff.inp written by Atoms into an xyz file suitable for a molecular plotting program.

Here is The Perl Institute Home Page.

It has more information about perl than you can shake a stick at, including how to install perl on non-unix operating systems. You can also down load the latest release there.

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[ Bruce Ravel's Homepage | The UWXAFS Homepage | The FEFF Homepage ]