[Ifeffit] D-ARTEMIS

Bruce Ravel bravel at bnl.gov
Fri Apr 18 08:14:46 CDT 2014


On 04/18/2014 09:01 AM, JOLLIVET Patrick wrote:
> Dear Dr Ravel,
>
> In the previous version of ARTEMIS, it was possible to separately do
> FEFF calculations (with FEFF7, FEFF8 or FEFF9) and then to import all
> paths or one by one in ARTEMIS (theory menu) to fit the experimental data.
>
> Is it still possible with the new version D-ARTEMIS ?
>
> If yes, how to proceed to do that because I did not manage to do it.


A frequently asked question.  See

 
http://www.mail-archive.com/ifeffit%40millenia.cars.aps.anl.gov/msg04181.html

and the link therein to earlier discussions.

You may be able to make progress by setting the atoms->feff_version and 
feff->executable parameters in Artemis' preferences dialog.  But, as I 
have stated many many times on this list, I do not consider it a good 
use of my time to support the versions of feff that are not 
redistributable.

We would, of course, welcome help in getting this

    https://github.com/xraypy/feff85exafs

to a state where it can be readily used with Larch and with my software. 
  The fact that no one has yet volunteered to help with this sort of 
confirms my reluctance to put too much effort in this area.

B



-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2
  Building 535A
  Upton NY, 11973

  Homepage:    http://xafs.org/BruceRavel
  Software:    https://github.com/bruceravel



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