[Ifeffit] possible bug in Atoms

Matt Frith matt.frith at gmail.com
Thu Apr 3 01:19:17 CDT 2014


Dear All,



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 (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?



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



Sincerely,



Matt Frith
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