Search found 9 matches

by Svist
Mon Oct 18, 2021 10:52 am
Forum: General forum
Topic: Something is not right in my script...
Replies: 2
Views: 6926

Re: Something is not right in my script...

Dear ykliao,

Thank you for your reply and suggestions, Certainly thank you for spotting a typo. I have advanced a bit during the weekend in understanding of what I am doing, so I hope I will get there soon. I will report when I am happy (or when I stuck again...)

Dima

by Svist
Fri Oct 15, 2021 1:59 pm
Forum: General forum
Topic: Something is not right in my script...
Replies: 2
Views: 6926

Something is not right in my script...

Dear all, What am I doing wrong? I am trying to optimise a free radical X-band CW spectrum simulation with six paramagnetic nuclei, Sys.Nucs = '1H,1H,1H,1H,14N,1H' My problem is that when I run this m-file (see below) to optimise just the three g-values, the script performs exactly 11 steps (this nu...
by Svist
Thu Nov 19, 2020 2:36 pm
Forum: General forum
Topic: lisum1i.mexmaci64
Replies: 4
Views: 3529

Re: lisum1i.mexmaci64

Thank you Srefan, I believe we are all fine now!

by Svist
Tue Nov 17, 2020 10:09 am
Forum: General forum
Topic: lisum1i.mexmaci64
Replies: 4
Views: 3529

Re: lisum1i.mexmaci64

Thank you, Stefan, for you prompt response. I had a meeting with the group today - it seems the problem is in that some were running Matlab from the cloud (and they had the problem) and one student downloaded Matlab locally (apparently they had such an option) - and she was fine. I hope when everybo...
by Svist
Mon Nov 16, 2020 2:08 pm
Forum: General forum
Topic: lisum1i.mexmaci64
Replies: 4
Views: 3529

lisum1i.mexmaci64

Hi all, Some of my students have the same issue in starting EasySpin on MACs. The have the message: “lisum1i.mexmaci64” cannot be opened because the developer cannot be verified macOS cannot verify this app is fre from malware Is it an EasySpin, Matlab or local computer issue? They all run Matlab re...
by Svist
Sat Aug 31, 2019 8:23 am
Forum: General forum
Topic: an esfit problem - more details
Replies: 4
Views: 4071

Re: an esfit problem - more details

Thank you very much, Stefan, it works now, hurray!! It took me some time though to realise I have to make a separate file to be called in by the main script. Anyway, it works now and I will investigate how to optimise the fit process - how it depends on the starting point, on the range to vary withi...
by Svist
Mon Aug 26, 2019 5:31 am
Forum: General forum
Topic: an esfit problem - more details
Replies: 4
Views: 4071

Re: an esfit problem - more details

OK, I will make another attempt to describe the code. Here is the bottom of the script: % Spin system and Optional paramters:ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ Sys.S = 1/2; Sys.g = [gx gy gz]; Sys.HStrain = [deltaHx deltaHy deltaHz]; Sys.Nucs = '1H,1H,1H,1H,1H,1H'; Sys.A = [Ab1Para Ab1Perp Ab1Pe...
by Svist
Thu Aug 15, 2019 4:25 am
Forum: General forum
Topic: an esfit problem - more details
Replies: 4
Views: 4071

an esfit problem - more details

Ok, 20 reads of my first post and no comments - I have to do better than that. My problem is in the following. I wrote a script for tyrosine radical EPR spectra simulation, in which three principal g values, hyperfine splittings, and Euler angles are functions of just two input variables. The script...
by Svist
Fri Aug 09, 2019 10:13 am
Forum: General forum
Topic: an esfit problem
Replies: 0
Views: 27943

an esfit problem

Dear All, dear Stefan, I am trying to run an esfit: esfit('pepper',experimental,Sys0,Vary,Exp,Opt); where Sys0.cAm = cAm; Vary.cAm = 0.1; Whatever value I set for cAm at the top of the script, the esfit gives the answer that it is the optimal one. For example, when cAm is set to 0, the output: -- es...