[Ifeffit] possible bug in Atoms

Bruce Ravel bravel at bnl.gov
Fri Apr 4 12:18:40 CDT 2014

Hi Matt,

Sorry I have been slow to respond.  I've been in meetings all day long 
since Wednesday.  I'll take a look at the problem over the weekend or 
early next week and let you know what I find.


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 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?
> The cif file, inp file, and atoms log file are all attached.

  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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