1995/03/01 by Meiqing Zhang, Mei‐Qing Zhang, Robert D. Skeel
Mathematics · Physics and Astronomy · #Numerical methods for differential equations #Physics of Superconductivity and Magnetism
paper · doi:10.1002/jcc.540160309
openalex publication_date 1995/03/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/05/21
Abstract In this article we observe that generally symplectic integrators conserve angular momentum exactly, whereas nonsymplectic integrators do not. We show that this observation extends to multiple timesteps and to constrained dynamics. Both of these devices are important for efficient molecular dynamics simulations. © 1995 by John Wiley & Sons, Inc.