[Ifeffit] Automatically doing many fits / Scripting

2017-06-16 Thread Felix E. Feiten
Dear Ifeffit mailing-list, first of all sorry for writing another mail to the list in such a short time span, I hope people will not get sick of me too quickly. I want to do many fits for the same data with varying start-parameters. More specifically, I am doing fits to EXAFS data of the Pt L

Re: [Ifeffit] Automatically doing many fits / Scripting - Clarification

2017-06-16 Thread Felix E. Feiten
I am very sorry, in the second paragraph the sequence describing what I want to do could have been clearer: I want to 1. start a fit with certain parameters, 2. save the log file, 3. change one parameter. This should be repeated many (120 for now) times. Felix On 16/06/2017 18:39, Felix E.

Re: [Ifeffit] FEFF8/FEFF9 in Demeter​

2017-06-16 Thread 에너지환경소재연구팀
​Dear Robert and users, Thank you for your quick reply and the address for mail archive. But I still cannot find the posting for all day long. Now I want to bear shame to ask a favor to send the posting. Thank you very much in advance! Best, Kug-Seung Lee Kug-Seung Lee, Ph.D. Staff Sci

Re: [Ifeffit] nonsensical negative values / restrictions

2017-06-16 Thread Bruce Ravel
Felix, When you fit your EXAFS data using Artemis + Ifeffit or Larch, you are using a Levenberg-Marquardt non-llinear, steepest descent algorithm. The fit does kn ow anything /at all/ about what you are trying to do. It doesn't know what a sensible value for sigma^2 or any other parameter is.

Re: [Ifeffit] FEFF8/FEFF9 in Demeter​

2017-06-16 Thread Kathy Dardenne
Hello, It might help you if you want to use feff8 in artemis without using the very old one… Try to use the Installer 0.9.19 if it works for you (It is ok for me under win7 but some people got problems see the associated thread) or the 0.9.13 with update to 0.9.18.2. These are the last

Re: [Ifeffit] FEFF8/FEFF9 in Demeter​

2017-06-16 Thread Bruce Ravel
My standard response to the feff9 question: http://bruceravel.github.io/SCFtests/scf.html B On 06/15/2017 02:55 AM, 이국승(에너지환경소재연구팀) wrote: ​Dear Ifeffit users, I remember that one of you have posted the method how we can use FEFF8/FEFF9 in Demeter​ program. But I cannot find the posting