[Ifeffit] Using FEFF8 with Artemis
Scott Calvin
SCalvin at slc.edu
Thu May 24 13:35:03 CDT 2007
Hi Bruce,
Thnks--your response helped me track down the nature of the problem.
It turns out that if I "wash" the files.dat and paths.dat files by
opening them on a pc and then saving them again, Artemis then does a
little better, allowing me to read in path files that have themselves
been washed. I suspect if I washed every text file in the directory,
it might work smoothly (maybe I'll try running a calculation with
only a handful of paths and doing that). The interesting thing to me
is that the behavior is indeed platform-independent...Artemis on the
Mac apparently needs the Feff files to have the pc end-of-line termination. :)
Does anyone out there have a simple way to btach convert a whole
bunch of files from Mac CR line breaks to pc CR/LF line breaks? I'm
not part of the linux or unix worlds, but can use either Windows XP
or OS X methods.
--Scott Calvin
Sarah Lawrence College
At 02:11 PM 5/24/2007, Bruce Ravel wrote:
>I see the same problem using the two files you sent. My best guess
>for the source of the problem is that Artemis is not finding the
>"files.dat" and "paths.data" (or possibly "path00.dat") files in the
>same place as the "feff.inp" and "feffNNNN.dat" files. Artemis needs
>those files to build the interpretation page and does not handle their
>absence gracefully.
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