Common Molecular Dynamics Algorithms Revisited: Accuracy and Optimal Time Steps of Störmer–Leapfrog Integrators
The Störmer–Verlet–leapfrog group of integrators commonly used in molecular dynamics simulations has long become a textbook subject and seems to have been studied exhaustively. There are, however, a few striking effects in performance of algorithms which are well known but have not received adequate...
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| Veröffentlicht in: | Journal of computational physics Jg. 136; H. 2; S. 354 - 365 |
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| 1. Verfasser: | |
| Format: | Journal Article |
| Sprache: | Englisch |
| Veröffentlicht: |
Elsevier Inc
15.09.1997
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| ISSN: | 0021-9991, 1090-2716 |
| Online-Zugang: | Volltext |
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