[Ifeffit] possible bug in Atoms

Bruce Ravel bravel at bnl.gov
Thu Apr 17 07:44:51 CDT 2014

On 04/03/2014 02:19 AM, Matt Frith wrote:
> I think I may have found a possible bug with the stand-alone version of
> (D) Atoms.  If I generate an inp file in atoms, save it and then try and
> run feff on it later, Atoms crashes without attempting the calculation.
> However, if I load that same input file in (D)Artemis it will run feff
> without crashing. Stand-alone atoms will also fail if I generate the
> input file in Artemis, save it and then try and later open it using
> Atoms. Only Atoms or Artemis is open at a time,

This will be fixed in the next release.  Thanks for the bug report.

> This problem is occurring on both 32 and 64 bit Windows 7 computers
> running the current ( package.  The problem occurred using
> 0.9.17 also.  Any ideas of why I am all of a sudden having this issue
> when it has not been a problem before?

I suspect that it has long been a problem, but it takes a particular 
action to trigger the problem.  I think that you, like me, never noticed 
it before.


  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
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