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I have also tried some alternatives, having defined my Sys1 (pair) and Sys2 (monomer): Sys1.S = [1/2 1/2] ... Sys2.S = 1/2 ... Vary1... Vary2... Sys = {Sys1,Sys2}; Vary = {Vary1,Vary2}; esfit('custom',spc,Sys,Vary,Exp,[],FitOpt); ... and in the custom function: function [x,y] = custom(Sys,Exp,Opt) i...

Thanks Matt. In this approach, the "sys" that you propose in the function call ( function [x,y]=custom(sys,exp,opt) ) can it be something generic, or something that has already been defined in my main script? Shouldn't I make specific references to Sys1 (dimer system) and Sys2 (monomer sys...

I have written a script that fits pairs of spins that interact through dipolar interaction using the model in T.D. Smith, J.R. Pilbrow, Coord. Chem. Rev. 1974, 13, 173-278 (http://dx.doi.org/10.1016/S0010-8545(00)80255-6), equation 14. Since the interaction energy is a function of an external variab...

Nice to stumble upon the feature when I needed it the most. Thanks!

From the runs I've done it seems to work as expected. For any issues I'll post ASAP.

I was looking into introducing single-ion g-strain into an exchange-coupled system and saw in the documentation (http://easyspin.org/easyspin/documentation/broadenings.html) that "g strain is not supported for systems with more than one electron spin". However, I had already set up my syst...

YES!

Identical!

Thanks for correcting this. I'll try to track the bug in my code to see what went wrong and publish asap.

For the parameter set: J = -19 cm-1, J' = -23, g = 2, d = 1.5 cm-1, for H = 1 T, according to the above-mentioned Hamiltonian, I get two very close but not identical chi*T vs T datasets: T Easyspin Phi 1.929848 0.29378079 0.243623 2.935006 0.31533935 0.265935 3.996075 0.32671028 0.281723 4.996569 0....

And the Phi files: UPDATE: After a small correction in the input files

I have now tried several models to fit magn. susceptibility data. To make sure my code is correct, I have treated the same data with the Phi package. In particular, I fit an all-ferric triangle (S1 = S2 = S3 = 5/2) under an isosceles magnetic model, including antisymmetric exchange: H = -2J (S1S2 + ...

Started a new thread with more discussion on fitting magn. susceptibility data:
viewtopic.php?f=3&t=312