Adding an energy-like conservation law to the leapfrog integrator
Computational Physics
2015-06-12 v1 Mathematical Physics
math.MP
Abstract
The leapfrog integrator is widely used because of its excellent stability in molecular dynamics simulation. This is recognized as being due to the existence of a discrete variational structure of the equations. We introduce a modified leapfrog method which includes an additional energy-like conservation law by embedding a molecular dynamics simulation within a larger dynamical system.
Cite
@article{arxiv.1301.1841,
title = {Adding an energy-like conservation law to the leapfrog integrator},
author = {A. C. Maggs},
journal= {arXiv preprint arXiv:1301.1841},
year = {2015}
}