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 12:29, 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

  1. Loup Verlet "Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules", Physical Review 159 pp. 98 - 103 (1967)
  2. R. W. Hockney, Methods in Computational Physics vol. 9, Academic Press, New York pp. 135–211 (1970)