[Ifeffit] Larch 0.9.61 and 60

Matt Newville newville at cars.uchicago.edu
Tue May 31 07:10:28 CDT 2022


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