Verlet leap-frog algorithm

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The Verlet leap-frog algorithm [1] is a variant of the original Verlet scheme [2] for use in molecular dynamics simulations. The algorithm is given by:

r(t + \delta t) = r (t) + \delta t v\left(t+ \frac{1}{2} \delta t\right)
v \left(t+ \frac{1}{2} \delta t\right) = v\left(t - \frac{1}{2} \delta t\right) + \delta t a (t)

where r is the position, v is the velocity, a is the acceleration and t is the time. \delta t is known as the time step.

See also[edit]

References[edit]

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

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