Dear all, Please see this new job opportunity: https://www.pse.kit.edu/english/karriere/joboffer.php?id=155626 I hope that many of you will apply! Best regards, Tonya -----Ursprüngliche Nachricht----- Von: Ifeffit Im Auftrag von ifeffit-request@millenia.cars.aps.anl.gov Gesendet: Dienstag, 31. Mai 2022 19:00 An: ifeffit@millenia.cars.aps.anl.gov Betreff: Ifeffit Digest, Vol 231, Issue 22 Send Ifeffit mailing list submissions to ifeffit@millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request@millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner@millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Re: Larch 0.9.61 and 60 (Matt Newville) ---------------------------------------------------------------------- Message: 1 Date: Tue, 31 May 2022 07:10:28 -0500 From: Matt Newville To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Larch 0.9.61 and 60 Message-ID: Content-Type: text/plain; charset="utf-8" Hi Kathy, Thanks and sorry for the trouble. I think I can reproduce this: changing the definitions of Path Parameters is being ignored. I have a theory of what is going wrong, but I'll have to investigate this a bit... On Tue, May 31, 2022 at 6:12 AM Kathy Dardenne wrote:

Hello,

I was trying to use Larch 0.9.59 to fit EXAFS Data. There was no possibility to save work in progress but it was possible to do fit, change name of the variable used and define the expression for amplitude (default defined as ?n*s02? in Larch where n is taken from the feff calculation).

I have 6 slightly different Cf-O distances in my model structure and took only one path, changing the amplitude definition ?1.0 * s02? by ?NO * s02? . this worked perfectly.

However in Larch 60 and 61 where, thanks a lot!!!, we can now save our work, it is not possible any more to change anything in the path parameter (neither name or expression). The added variable is not any more varied and not taken into account. Independently of the amplitude definition s02 get the same value as default definition and new variables stay by start value having no influence on the fit.

I join some screenshot as well ?Path parameters? and ?Fit script?. Looking at the Path parameter I saw that the amplitude is still by default definition so no wonder that it acts without taking into account changes. This is the same for name changes.

Am I the only one having trouble now? I worked till now with artemis, ifeffit and previously feffit soI do not have a big experience with Larch. The old feffit based versions stop all by Pu (Z=94) and I need Z=98 so I changed to Larch but need to get used to.

I am using Larch in anaconda3 on a Win10 Computer.

Thanks a lot for your help.

Kind regards

Kathy _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- --Matt Newville <newville at cars.uchicago.edu> 630-327-7411