[Ifeffit] Artemis Feature Request

Bruce Ravel bravel at bnl.gov
Tue Apr 15 13:26:00 CDT 2014

On 04/15/2014 01:12 PM, Shelly Kelly wrote:
> Bruce:
> Does Artemis have the ability to save the path list information in a
> format similar to the old intrp.dat file to disk?  Seems like this
> feature could go on the "export" button on the Atoms tab.  Or it
> might also belong on the "Save calc" on the Paths tab.  This button
> gave me a feff.yaml file that I don't know how to open, maybe it is
> in there?

That's a fine suggestion.  It will be in the next version.

In the meantime, there are intended purposes for the feff.yaml file,
although I guess I never documented it.

One of the small programs that you will find in
C:\strawberry\perl\site\bin is "intrp".  Doing

   intrp feff.yaml

will print out what you want, although on windows you might want

   intrp --nocolor feff.yaml

instead. The output is printed to the terminal, which you will then need 
to capture into a file:

   intrp --nocolor feff.yaml > intrp.dat


  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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