[Ifeffit] (no subject)

Bruce Ravel bravel at anl.gov
Mon Dec 19 14:50:54 CST 2005


On Monday 19 December 2005 13:21, Victor Krayzman wrote:
> Besides other codes I work with Athena and Artemis and I have some
> troubles with Artemis. (It runs under Windows 2000) Last time I read
> a data file, made two FEFF calculations, read one more data file and
> made three FEFF calculations for it. Then I saved project, quit
> Artemis, open it again and tried to read the saved project. I found
> only data files and two FEFF calculations for the first data set.
> FEFF calculations for the second set disappeared.
> I met the same situation some time ago. To fix the problem I had to
> reinstall the Artemis. But now I have got the same thing. Could you
> help me? I attached the saved project and the message in a window.

Hi Victor,

You have uncovered a tricky little bug.  The problem is with the
string that you write in the tags column of the table of sites on the
Atoms page.  It turns out that the tag has to be a character string
without spaces.  However, Artemis does not check to verify that the
tag in fact is acceptable.  That check will be added in the next
release.

Until that fix gets made, the work-around is easy.  Don't include
spaces in the site tag.  If you have already done so, it is possible
to fix the problem by hand, but that requires a certain knowledge of
the structure of the project file.  If you have done so, you will
probably have to just scrap the project and start over.

For the time being, Victor, I have fixed your project file by hand and
will mail it back to you personally.

B

-- 
 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

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