Separate output for garlic() function

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katarkon
Local Expert
Posts: 186
Joined: Mon Jan 12, 2015 4:01 am

Separate output for garlic() function

Post by katarkon »

Is it possible to make the separate spectrum for each line of isotropic spectrum? Unfortunately, Opt.Output = 'separate' has no effect for garlic() function.
Stefan Stoll
EasySpin Creator
Posts: 1073
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Separate output for garlic() function

Post by Stefan Stoll »

Thanks for the suggestion. That should be possible to implement. We'll open an issue for that.
katarkon
Local Expert
Posts: 186
Joined: Mon Jan 12, 2015 4:01 am

Re: Separate output for garlic() function

Post by katarkon »

Thanks. I see the function pepper() have required feature. May it be used for isotropic spectra simulation?
Matt Krzyaniak
EasySpin Guru
Posts: 153
Joined: Tue Jul 22, 2014 11:01 am
Location: Northwestern University

Re: Separate output for garlic() function

Post by Matt Krzyaniak »

Yes, you can use pepper to simulate isotropic spectra, just be warned, depending on how large your spin system is it can be considerably slower than garlic.
You could regain some of the speed by switching Opt.Method to 'perturb', 'perturb1', or 'perturb2' though you'll still want to verify your fit using the default Method 'matrix' diagonalization.
katarkon
Local Expert
Posts: 186
Joined: Mon Jan 12, 2015 4:01 am

Re: Separate output for garlic() function

Post by katarkon »

Finally, will separate output for garlic() function be implemented in futher versions? Unfortunately, the pepper() function is extremely slow to be used instead even in perturbation mode.
Stefan Stoll
EasySpin Creator
Posts: 1073
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Separate output for garlic() function

Post by Stefan Stoll »

It's on our to-do list.
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