Dear Matt,

thanks for the feedback. The advantage of WebAtoms was, it was capable to process files, which larch can’t and it is much more „verbose“. With WebAtoms I got so much feedback, that I was able to „repair“ the files.

Typically about 40 % of cif-files, I get within cooperations from partners doing diffraction on the same samples are not compatible with larch.  


Best regards

Stefan  

Am 27.09.2024 um 18:25 schrieb Matthew Newville <newville@cars.uchicago.edu>:

Hi Stefan,
 
Yes, we know this is down, and sorry for that.  In fact, we talked about this at the most recent Larch developers meeting (which is more of a discussion with people interested in influencing its development, so if anyone is interested in giving feedback on these tools or joining such a conversation, let me know).  The current plan is to replace it with a web app that interfaces with Larch and pymatgen to generate Feff (and hopefully FDMNES) inputs.
 
I hope we can get a prototype up soonish, but I think this entire area (CIF/XYS_Structure -> XAS inputs, and maybe related “databases of pre-calculated first shell XAS scattering) are continually brought up as needing more attention. 
 
So, if you or anyone else has thoughts or suggestions on these topics, we would love to hear them.
 
--Matt
 
 

From: Mangold, Stefan (IPS) via Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Date: Friday, September 27, 2024 at 11:06 AM
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Cc: Mangold, Stefan (IPS) <stefan.mangold@kit.edu>
Subject: [Ifeffit] Can't get access to WebAtoms via http://millenia.cars.aps.anl.gov/webatoms/

Dear all,
 
I have a problem to open WebAtoms via http://millenia.cars.aps.anl.gov/webatoms/, is there another server available ?
 
 
best regards
Stefan Mangold