(py)LIon: A package for simulating trapped ion trajectories

Published: 28 February 2020| Version 1 | DOI: 10.17632/ywwd9nnxjh.1
Elliot Bentine,
C.J. Foot,
D. Trypogeorgos


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.



Computational Physics, Molecular Dynamics