Simulation in Liouville space for rElaxation and Exchange in PYthon
Currently under development. Requires standard python packages plus numpy/scipy/matplotlib.
Under development should be taken seriously. Please contact me if you want to publish something using SLEEPY sims, so I can at least check that everything is valid for the simulations.
Known issues: Quadrupole relaxation is probably incorrect/incomplete.
Relaxation towards thermal equilibrium occurs with a fixed value. For a spin that the equilibrium polarization varies throughout the rotor period, this will not be correct (relevant for DNP, and effects such as pseudocontact shift in solid-state NMR).
Copyright 2024 Albert Smith-Penzel
All files are copyrighted under the GNU General Public License. A copy of the license has been provided in the file LICENSE
Funding for this project provided by:
Deutsche Forschungsgemeinschaft (DFG) grant 450148812