[Ifeffit] atoms tab doesnt appear on d-artemis

Bruce Ravel bravel at bnl.gov
Tue May 13 08:25:06 CDT 2014


You are describing the intended behavior of Artemis.  If you import a 
feff.inp file, then Artemis presumes that there is no associated 
crystallographic data.

The assumption made when a feff.inp file is imported is that the 
feff.inp has been specially prepared in some way outside of Artemis.  In 
that case, it would be inappropriate for Artemis to overwrite that feff 
input data.  To avoid that situation, the Atoms tab is disabled.

That does not seem to be the case in the screenshot you included. 
Judging from the bit of the feff input data visible in the screenshot, 
it seems as though you somehow generated a feff.inp file with a Demeter 
program, saved the feff.inp file to disk, then imported it into Artemis. 
  That is not the normal path through the software, but it's not wrong. 
  In any case, Artemis is treating your feff.inp file as "specially 
prepared" in the sense explained above.

If you want to run Atoms, import crystallographic data.


On 05/12/2014 07:44 PM, Kim, Sarah wrote:
> Hello,
> I am currently using d-artemis (on 9.18.2) and when I import a feff.inp
> file, the run atoms button is unavailable and there are no paths under
> the paths tab. I have used this feff file before on the same program
> without this issue. I attached a screen shot of what I am looking at. I
> have already uninstalled/reinstalled the program. Ive also tried using
> different feff files and I have the same issue. Also, this feff file
> works fine on the old version of artemis.
> Thank you,
> Sarah Kim
> Washington State University
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  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

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