You can write a custom simulation function that calls curry
several times, once for each temperature with the associated field values, and then return all the calculated values as a vector.
Search found 1028 matches
- Sun Sep 03, 2023 12:26 am
- Forum: General forum
- Topic: Curry / fitting magnetic data
- Replies: 1
- Views: 13239
Re: Curry / fitting magnetic data
- Sun Sep 03, 2023 12:24 am
- Forum: General forum
- Topic: Some problems in simulating single crystal rotation pattern
- Replies: 8
- Views: 11880
Re: Some problems in simulating single crystal rotation pattern
Is this from the resfields_roadmap.m
example? There, rotN
is the rotation axis, expressed in the lab frame.
- Sun Sep 03, 2023 12:22 am
- Forum: General forum
- Topic: How to simulate Rhombograms in this literature
- Replies: 2
- Views: 6697
Re: How to simulate Rhombograms in this literature
- Sun Sep 03, 2023 12:04 am
- Forum: General forum
- Topic: The meaning of the two lines of command
- Replies: 1
- Views: 6183
Re: The meaning of the two lines of command
These do not look like EasySpin options.
- Sat Sep 02, 2023 11:58 pm
- Forum: General forum
- Topic: Two-component EDNMR simulations
- Replies: 1
- Views: 5125
Re: Two-component EDNMR simulations
It looks like the script (unlike most Easyspin functions) does not support the simultaneous simulation of two systems. Run the script with each system separately, and add the results.
- Sat Sep 02, 2023 11:57 pm
- Forum: General forum
- Topic: Simulations using perturbation theory are very different from spectrogram simulations using matrix diagonalization
- Replies: 1
- Views: 4568
Re: Simulations using perturbation theory are very different from spectrogram simulations using matrix diagonalization
For perturbation theory to be applicable, all interaction energies (zero-field splitting, hyperfine) have to be significantly smaller than the microwave energy. In your case, D in Sys.D
is 150 GHz, which is much larger than 9.8 GHz in Exp.mwFreq
, so perturbation theory is inapplicable here.
- Sat Sep 02, 2023 11:46 pm
- Forum: General forum
- Topic: fitting overmodulated spectra
- Replies: 1
- Views: 7031
Re: fitting overmodulated spectra
Please post your simulation script that doesn't work the way you want, so we can have a look and try to help.
- Sat Sep 02, 2023 11:44 pm
- Forum: Bugs
- Topic: cannot import data from orca output though orca2easyspin
- Replies: 2
- Views: 6363
Re: cannot import data from orca output though orca2easyspin
EasySpin 5.2.x does not support ORCA 5.0.x
Please use EasySpin 6 instead.
- Sat Sep 02, 2023 11:44 pm
- Forum: Bugs
- Topic: stdev really high for weight
- Replies: 1
- Views: 10228
Re: stdev really high for weight
Could you please provide a script that reproduces this behavior, so we can look into this? Thanks
- Sat Sep 02, 2023 11:43 pm
- Forum: Bugs
- Topic: Error in eprload_MagnettechXML
- Replies: 2
- Views: 5590
Re: Error in eprload_MagnettechXML
Thanks for reporting! Would you mind sharing your data file, so we can test it and make sure EasySpin gives a proper warning about this?