I am using it a lot and have integrated it with my own Matlab code to simulate spectra for metabolomics.
In general the simulations are very fast, which is one of the primary reasons I like to use your code over my own, much slower, density matrix-based code.
However, occasionally I encounter a spin-system that takes much longer to simulate. The reason clearly has to do with how strongly coupled the spin-system under investigation is. I have attached two examples. Both use 7 spins, but differ in the amount of strong coupling. The weak system simulates in 4 seconds, whereas the strong system takes 40 seconds! Am I doing something stupid or is this difference inherent to the spinach algorithm?
I know that in my own density-matrix-based code only the number of spins determines the calculation time, not the scalar couplings. But of course in that program the calculation becomes impossibly slow for more than 7-8 spins.
Please let me know if there is anything I can do to speed up the calculation.