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
Hi Harry,
On Fri, Aug 19, 2022 at 9:10 AM Andy Zhang
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
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
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
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participants (2)
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Andy Zhang
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Matt Newville