[Ifeffit] inp file - artemis crashing when running feff calc on manually generated inp file

Bruce Ravel bravel at bnl.gov
Mon Nov 3 13:40:57 CST 2014

The next release of Demeter will interpret RMULTIPLIER sensibly.  It 
will also fail in this situation (and many others where Feff fails to 
run to completion) in a more graceful way.

It is, however, somewhat difficult to capture feff's error messages in a 
way that I know will work on all the platforms.  Still, a more graceful 
failure and a useful message to the Feff console should go a long way 
towards making the original problem more understandable.

Stephen: thanks for the bug report.

On 11/03/2014 01:55 PM, Bruce Ravel wrote:
> On 11/03/2014 01:51 PM, Bruce Ravel wrote:
>> Simply shortening the distance, even by 1% via "RMULTIPLIER 0.99"
>> allows Feff to run to completion.
> Except that Artemis does not seem to process the RMULTIPLIER parameter
> correctly.  Drat!
> Using the RMULTIPLIER works when running Feff6L from the command line,
> but not when running it from within Artemis.  Another thing for the to
> do list!
> In any case, my comment remains the same -- your distances appear to be
> unphysically large.
> B

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

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/

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