[Ifeffit] ignoring TkAtoms "Frame 1" save option fixes error
Charles Chusuei
chusuei at umr.edu
Tue May 24 12:18:09 CDT 2005
Re: [Ifeffit] can't see error message(s) Artemis after *.inp import from
TkAtoms
At 11:30 PM 5/23/2005, you wrote:
>Hi Charles,
>
>Sorry for the delay. There won't be anything to plot after
>importing the feff.inp file. First, you'll have to run feff,
>then import some of the feff paths into Artemis. At that point
>you can either simply add the paths together or do a fit to
>actual data.
>
>For the "Artemis trapped one of more errors! Error message
>dumped to screen" message, these actually go to the Windows
>command session window (aka the DOS shell).
>
>Hope that helps!
>
>--Matt
Thanks Matt! I wouldn't have guessed that was where the message went. It
immediately popped up before I could try plotting so I thought I had to do
something before running feff. In any case, I found that the error had to
do with multiple ways TkAtoms can save the *.inp file. In the program [ver
3.0beta9], the *.inp is generated in the "TkAtoms display Frame 1",
displaying the xyz coordinates. In this "Frame 1" window, there is a
button that gives you the option of saving the *.inp file. When I use it
to do so, Artemis doesn't seem to recognize the file when I try to import
it (hence the error message). I found that I had to ignore this window and
use the "File" submenu (at the top in blue in TkAtoms) to save the *.inp
file. I could then import with no error message & finally do the Artemis
plot. -Charles
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