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Symplectic integrators and the conservation of angular momentum
Author(s) -
Zhang MeiQing,
Skeel Robert D.
Publication year - 1995
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540160309
Subject(s) - integrator , symplectic geometry , angular momentum , symplectic integrator , variational integrator , dynamics (music) , physics , classical mechanics , molecular dynamics , conservation law , computer science , mathematics , statistical physics , mathematical physics , mathematical analysis , moment map , quantum mechanics , voltage , acoustics
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.