Potential problem with hybrid treatment of nuclei in pepper

[elittle]

Hi,

I tried re-running a spin system I wrote in December in the new open-source version of Easyspin*, and I now get an error in validatespinsys. I think it's something to do with setting Opt.Method='hybrid', as the simulation runs fine with 'matrix'. The problem seems to come from the following pathway:

The spin system is passed to resfields in pepper line 160, which in turn passes it to validatespinsys in line 76. This creates a field Sys.sigma = ones(nNuclei, 3) in line 496. In line 312 of resfields, the non-core nuclei are removed from the spin system by a call to nucspinrmv. This removes the Sys.nucs field, but leaves Sys.sigma. This leads to an error when the spin system is validated in line 315, as Sys.sigma exists, but its size is inconsistent with having no nuclei (validatespinsys line 488).

I tried editing resfields to remove Sys.sigma and Sys.sigmaFrame but then I just get new errors from not having any nuclei! I can't see anything obviously wrong with my spin system, it contains the extra fields myDStrain and myA but I removed these and got the same error.

Any help would be much appreciated,

Best wishes,
Edmund

*Downloaded 20th March, I can't find the version number

[Stefan Stoll]

This should be fixed in the latest dev release, 6.0.0-dev.23.