[Ifeffit] possible bug in Atoms

Matt Frith matt.frith at gmail.com
Fri Apr 18 22:05:40 CDT 2014


Bruce, thanks for taking a look at the problem- the effort is appreciated.

Bests,

Matt Frith


On Thu, Apr 17, 2014 at 1:00 PM,
<ifeffit-request at millenia.cars.aps.anl.gov>wrote:

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> Today's Topics:
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>    1. Re: Artemis Feature Request (Bruce Ravel)
>    2. Re: possible bug in Atoms (Bruce Ravel)
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> ----------------------------------------------------------------------
>
> Message: 1
> Date: Wed, 16 Apr 2014 16:49:26 -0400
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Artemis Feature Request
> Message-ID: <534EECD6.2090707 at bnl.gov>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> On 04/15/2014 01:12 PM, Shelly Kelly wrote:
> > Does Artemis have the ability to save the path list information in a
> > format similar to the old intrp.dat file to disk?
>
> Done.  Will be in the next release.
> 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
>
>
> ------------------------------
>
> Message: 2
> Date: Thu, 17 Apr 2014 08:44:51 -0400
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] possible bug in Atoms
> Message-ID: <534FCCC3.9010407 at bnl.gov>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> 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 (0.9.18.2) 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.
>
> Cheers,
> 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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> End of Ifeffit Digest, Vol 134, Issue 16
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