The last program I knew that could do this for arbitrary user-defined systems was MAGPACK.
Nice to see there is a more recent alternative!
The last program I knew that could do this for arbitrary user-defined systems was MAGPACK.
Nice to see there is a more recent alternative!
Thanks for this.
I am trying it out as we speak with the logtcorr near its limits (ca. -14). It is slow as you say, but that's not the main issue.
It is rather the same as above, that it gives a global line width for the entire spectrum.
Thanks for the rapid reply.
Indeed, pepper can handle biradicals, but powder or frozen solution spectra.
From what I understand from reading the theory, the fact that these are fluid solution spectra needs to be specifically accounted for, no?
OK, I did so, hopefully correctly (I am new to github).