Alternative non-bonded potentials
Support for non-bonded potentials other than Lennard-Jones 12-6 would be valuable.
- Buckingham (Proc. R. Soc. London Ser. A 168 (1938) 264)
- Wang et al. (JCTC 9 (2013) 452) which we showed to be an enormous improvement over LJ 12-6 and LJ 8-6 (Walz et al. JCTC 14 (2018) 5933).
All of these have an exponential term with one of the parameters inside the exp function, which means they can not easily be tabulated.