Questions about curry in EasySpin 6

General forum for EasySpin: questions, how to's, etc.
Post Reply
Maximilian Pohle
Newbie
Posts: 1
Joined: Mon Jan 25, 2021 1:19 am

Questions about curry in EasySpin 6

Post by Maximilian Pohle »

Thanks in advance for your continuous work and improvement of EasySpin.

Beneath EPR simulation, I also like to use EasySpin for the fitting/simulation of magnetisation and susceptibility data. With the change to EasySpin 6 (i am using dev.29 at the moment) curry had changed a lot. The temperature input for both magnetisation and susceptibility is now labeled with Exp.Temperature compared to the former chiTemperature/mTemperature. With this change, is there any way to fit magnetisation and susceptibility data simultaneously with the esfit routine using different temperature regimes for magnetisation and susceptibility?

My second question is related to a structure of mine, where I have two crystallographic independent complex molecules in one cell and I like to fit the measured data with two independent spin systems. But curry don't support calculations with multiple components. Is there any workaround?

Thank you very much.

Post Reply