StollLab / EasySpin

MATLAB toolbox for Electron Paramagnetic Resonance (EPR) spectroscopy
http://easyspin.org
MIT License
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chili: speed up starting vector calculation using SO3 Fourier transform #334

Open stestoll opened 3 months ago

stestoll commented 3 months ago

This PR implements a fast Fourier transform over SO3 to speed up the calculation of the starting vector (orientational distribution in an LMK basis) for chili.