[Ifeffit] Artemis bug?

Scott Calvin SCalvin at slc.edu
Tue Oct 26 17:15:50 CDT 2004

Hi Bruce,

I seem to be encountering a bug in adding paths to a FEFF calculation 
with Artemis. To see this bug, follow these steps:

1) open the Artemis project that comes with the distribution under 
ifeffit/examples/Artemis/ybco/cu.apj (that's the YBCO copper edge 

2) Discard a path (#4 is what I just tried) under the FEFF1 
calculation. Make sure it's the one under FEFF1, and not FEFF0.

3) Click on FEFF1 under the Data & Paths pane, so that the 
interpretation of that calculation shows. Right click on path 4 in 
the interpretation, and choose "Add feff0004.dat to path list."

When I do this, it adds to the FEFF0 calculation, rather than the 
FEFF1 calculation as it should.

Or, try this instead for step 3:

3) Click on FEFF1 under the Data & Paths pane. Go to the "theory" 
menu at the top, and choose "Add a feff path." Then select 
feff0004.dat from the list.

When I do it this way, it ends up as a totally new FEFF calculation, 
rather than as part of FEFF1.

I am using Windows XP and Artemis 0.7.010.

--Scott Calvin
Sarah Lawrence College

P.S. Do you prefer me to identify bugs the way I did here, by telling 
you how to reproduce it using an example file, or by sending you a 
project file myself? It makes sense to me that I refer it to an 
example file that you more or less know the history of, but if you'd 
rather I send project files myself, I'm happy to do that.

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