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

E. Bentine; C. J. Foot; D. Trypogeorgos

doi:10.1016/j.cpc.2020.107187

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arXiv · 1907.10514

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

E. Bentine·C. J. Foot·D. Trypogeorgos

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Abstract

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.

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E. Bentine, C. J. Foot, D. Trypogeorgos. 2019-07-24. (py)LIon: a package for simulating trapped ion trajectories. https://doi.org/10.1016/j.cpc.2020.107187

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