[Ifeffit] Demeter: my new software project

Anatoly Frenkel frenkel at bnl.gov
Fri Sep 8 12:40:23 CDT 2006

Bruce, first I thought you ran out of Greek goddesses names and tapped into
russian name book but then I googled Demeter and realized that she was a
Goddess of the Harvest. Nice name!


-----Original Message-----
From: ifeffit-bounces at millenia.cars.aps.anl.gov
[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov]On Behalf Of Bruce
Sent: Friday, September 08, 2006 12:58 PM
To: XAFS Analysis using Ifeffit
Subject: [Ifeffit] Demeter: my new software project


I think that some of you will be interested in my latest XAS software
project, which I am calling Demeter.  Demeter is an object-oriented
programming interface to Ifeffit written in Perl.  It is intended to
encompass most of the current functionality of Athena and Artemis
while at the same time being more generalized, lower-level, and much
more robust.

In short, Demeter is not a software product.  Rather, it is the thing
that software products can be made from.

Demeter is targeted at a wide variety of XAS data analysis chores, such as

  * GUI's like Athena and Artemis.  In fact, I intend to rewrite
    Artemis using Demeter once I have incorporated enough
    functionality into Demeter.

  * A parser for feffit.inp files allowing you to translate your old
    analysis using feffit into ifeffit scripts and Artemis projects.

  * The analytic component of a high-throughput system such as those
    presented at the XAFS13 conference by the groups of Wolfram
    Meyer-Klaucke and Sven Schroeder.

  * The backend to specialized XAS software, like Shelly Kelly's mkfit
    program (http://www.mesg.anl.gov/exafs.html), or for ideosyncratic
    analysis like that described in Physical Review B, 73, p. 184121

There is still A LOT to do, but even at this early stage Demeter is
very useful.  In fact, Demeter can already be used for real data
processing and analysis.

Demeter is available on an anonymous Subversion server, so anyone with
an SVN client can check out a copy of Demeter at any time. Information
about Demeter and the Subversion server is at

You can browse the Demeter source code with your web browser at

If this seems interesting to you, take a look at some of the short
example programs demonstrating Demeter's capabilities and economy of


 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

 My homepage:    http://cars9.uchicago.edu/~ravel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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