Re: [Ifeffit] third cumulant in Larch
Hi Matt, Thank you very much for your email! I did not add it to the Path in my previous fit. I modified the file based on your email and now it works. Many thanks for your help and have a nice day! Best, Harry On Fri, Aug 19, 2022 at 7:35 PM Matt Newville wrote: > Hi Harry, > > > > > On Fri, Aug 19, 2022 at 9:10 AM Andy Zhang wrote: > >> Dear all, >> >> I have a quick question related to EXAFS fitting using Larch. I wonder >> how to include the third cumulant in the fitting. I tried to add "third" in >> the "pars" section, but it seems it did not work. >> >> [image: image.png] >> >> Thanks a lot for your help! >> >> > By itself, that just sets up the parameters to be varied during the fit. > It does not specify how those will be used. > > So: did you use the parameter named "third" in any of the Path Parameter > definitions? Something like this > > path1 = feffpath('feff0001.dat', s02 = 'amp', e0 = 'del_e0', > sigma2='sigma2_eins(300, theta)', >deltar='alpha*reff', >third='third') > > should work. > > If not, please post a complete, minimal example showing what you are doing. > > --Matt > > ___ > 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 > ___ 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
Re: [Ifeffit] third cumulant in Larch
Hi Harry, On Fri, Aug 19, 2022 at 9:10 AM Andy Zhang wrote: > Dear all, > > I have a quick question related to EXAFS fitting using Larch. I wonder how > to include the third cumulant in the fitting. I tried to add "third" in the > "pars" section, but it seems it did not work. > > [image: image.png] > > Thanks a lot for your help! > > By itself, that just sets up the parameters to be varied during the fit. It does not specify how those will be used. So: did you use the parameter named "third" in any of the Path Parameter definitions? Something like this path1 = feffpath('feff0001.dat', s02 = 'amp', e0 = 'del_e0', sigma2='sigma2_eins(300, theta)', deltar='alpha*reff', third='third') should work. If not, please post a complete, minimal example showing what you are doing. --Matt ___ 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
[Ifeffit] third cumulant in Larch
Dear all, I have a quick question related to EXAFS fitting using Larch. I wonder how to include the third cumulant in the fitting. I tried to add "third" in the "pars" section, but it seems it did not work. [image: image.png] Thanks a lot for your help! Have a nice day! Best, Harry ___ 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