[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20140403/bf596abf/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: feff3.inp
Type: application/octet-stream
Size: 3637 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20140403/bf596abf/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: AMS_DATA_Gualtieri.cif
Type: application/octet-stream
Size: 1170 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20140403/bf596abf/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: datoms.log
Type: application/octet-stream
Size: 5965 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20140403/bf596abf/attachment-0002.obj>
More information about the Ifeffit
mailing list