[Ifeffit] Artemis Feature Request

Shelly Kelly dr.sdkelly at gmail.com
Tue Apr 15 14:07:38 CDT 2014


Thanks for your help.  On my windows machine I had to add perl to the front
of that command to get it to go.  Then it worked just as you described.
--nocolor is also necessary.

perl intrp --nocolor feff.yaml > intrp.dat

Thank-you for your help.

On Tue, Apr 15, 2014 at 1:26 PM, Bruce Ravel <bravel at bnl.gov> wrote:

> 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
> HTH,
> 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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