Separate output for garlic() function
Separate output for garlic() function
Is it possible to make the separate spectrum for each line of isotropic spectrum? Unfortunately, Opt.Output = 'separate' has no effect for garlic() function.
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- EasySpin Creator
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- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: Separate output for garlic() function
Thanks for the suggestion. That should be possible to implement. We'll open an issue for that.
Re: Separate output for garlic() function
Thanks. I see the function pepper() have required feature. May it be used for isotropic spectra simulation?
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- EasySpin Guru
- Posts: 155
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- Location: Northwestern University
Re: Separate output for garlic() function
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
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.Re: Separate output for garlic() function
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.
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- EasySpin Creator
- Posts: 1120
- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: Separate output for garlic() function
It's on our to-do list.