Hello and thank you for the great software.
I am testing out some isotropic singlet yield calculations and am encountering the following error when I have nitrogen nuclei in the spin system:
Error using expmint>grumble (line 86)
A matrix must be Hermitian.
Specifically, I changed the protons in the singlet_yield_5.m example to nitrogens, and the error occurred. I only modified the sys.isotopes={'E','E','1H','1H'}; line to sys.isotopes={'E','E','14N','14N'};, is there some other line of code that I should have modified as well? Apologies if this turns out to be a stupid question.
Full error message:
Error using expmint>grumble (line 86)
A matrix must be Hermitian.
Error in expmint (line 32)
grumble(A,B,C,T);
Error in rydmr_exp (line 93)
parfor nm=1:(N*M)
Error in liquid (line 136)
answer=pulse_sequence(spin_system,parameters,H,R,K);
Error in singlet_yield_5 (line 42)
M=liquid(spin_system,@rydmr_exp,parameters,'labframe');
liquid.m/expmint.m error: matrix must be Hermitian
Re: liquid.m/expmint.m error: matrix must be Hermitian
Well spotted! The Hamiltonian was not tidied up in rydmr_exp(), it had tiny nonhermitian components. Fixed in the enclosed, please replace the corresponding file.
 Attachments

 rydmr_exp.zip
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