Integrators for molecular dynamics: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) m (Added an internal link) |
Carl McBride (talk | contribs) m (Added a reference.) |
||
| Line 8: | Line 8: | ||
*[[Velocity Verlet algorithm]] | *[[Velocity Verlet algorithm]] | ||
*[[Verlet leap-frog algorithm]] | *[[Verlet leap-frog algorithm]] | ||
==Related reading== | |||
*[http://dx.doi.org/10.1006/jcph.1997.5740 Alexy K. Mazur "Common Molecular Dynamics Algorithms Revisited: Accuracy and Optimal Time Steps of Störmer–Leapfrog Integrators", Journal of Computational Physics '''136''' pp. 354-365 (1997)] | |||
[[category: molecular dynamics]] | [[category: molecular dynamics]] | ||
[[category: mathematics]] | [[category: mathematics]] | ||
Revision as of 12:04, 19 April 2010
Integrators for molecular dynamics:
- Beeman's algorithm
- Predictor-Corrector methods
- Runge-Kutta method
- Symplectic integrators
- Time step
- RESPA, a multiple time step method
- Velocity Verlet algorithm
- Verlet leap-frog algorithm