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
Energy Conserving, Liouville, and Symplectic Integrators
β Scribed by Daniel I. Okunbor
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 199 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0021-9991
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β¦ Synopsis
In this paper, we construct an integrator that converves volume in phase space. We compare the results obtained using this method and a symplectic integrator. The results of our experiments do not reveal any superiority of the symplectic over strictly volume-preserving integrators. We also investigate the effect of numerically conserving energy in a numerical process by rescaling velocities to keep energy constant at every step. Our results for Henon-Heiles problem show that keeping energy constant in this way destroys ergodicity and forces the solution onto a periodic orbit. 1995 Academic Press, Inc.
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