The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been validated by comparison with the analytic theory describing ion trap dynamics. Notable features include GPU-accelerated force calculations, and treating collections of ions as rigid bodies to enable investigations of the rotational dynamics of large, mesoscopic charged particles.
@article{arxiv.1907.10514,
title = {(py)LIon: a package for simulating trapped ion trajectories},
author = {E. Bentine and C. J. Foot and D. Trypogeorgos},
journal= {arXiv preprint arXiv:1907.10514},
year = {2023}
}