[Ifeffit] MoS2 fit

[Bruce Ravel]

On Tuesday 17 August 2004 03:02 pm, dmc at pdx.edu wrote:
> Also, don't forget you have to "define" when using equations, I got
> an error message when I used "set."

Which error message did you get?  Since last week's business about
setting the feff executable correctly, I have started examining
artemis's error/warning/informational messages and changing some that
seemed vague to me.

I also wanted to point out the difference between set and def in
Ifeffit, which may help to explain whatever the message was.

In Ifeffit, a set parameter is evaluated once when the command is
issued to Ifeffit.  A def parameter is parsed and it's math expression
is stored.  As the fit progresses, the math expression is re-evaluated
to be kept up to date with the current values of the guess
parameters.  A set, on the other hand, does not change during the
course of the fit.

HTH,
B

-- 
 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
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