Verlet leap-frog algorithm: Difference between revisions
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:<math>v \left(t+ \frac{1}{2} \delta t\right) = v\left(t - \frac{1}{2} \delta t\right) + \delta t a (t)</math> | :<math>v \left(t+ \frac{1}{2} \delta t\right) = v\left(t - \frac{1}{2} \delta t\right) + \delta t a (t)</math> | ||
where ''r'' is the position, ''v'' is the velocity, ''a'' is the acceleration and ''t'' is the time. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1103/PhysRev.159.98 Loup Verlet "Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules", Physical Review '''159''' pp. 98 - 103 (1967)] | #[http://dx.doi.org/10.1103/PhysRev.159.98 Loup Verlet "Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules", Physical Review '''159''' pp. 98 - 103 (1967)] | ||
#R. W. Hockney, Methods in Computational Physics vol. '''9''', Academic Press, New York pp. 135–211 (1970) | #R. W. Hockney, Methods in Computational Physics vol. '''9''', Academic Press, New York pp. 135–211 (1970) | ||
[[category: Molecular dynamics]] | [[category: Molecular dynamics]] |
Revision as of 11:29, 10 July 2007
The Verlet leap-frog algorithm is a variant of the original Verlet scheme (Ref. 1)
where r is the position, v is the velocity, a is the acceleration and t is the time.
References
- Loup Verlet "Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules", Physical Review 159 pp. 98 - 103 (1967)
- R. W. Hockney, Methods in Computational Physics vol. 9, Academic Press, New York pp. 135–211 (1970)