Verlet leap-frog algorithm: Difference between revisions

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#[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)
#[http://dx.doi.org/10.1063/1.2779878 Michel A. Cuendet and Wilfred F. van Gunsteren "On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm", Journal of Chemical Physics '''127''' 184102 (2007)]
[[category: Molecular dynamics]]
[[category: Molecular dynamics]]

Revision as of 12:39, 15 November 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.

See also

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)
  3. Michel A. Cuendet and Wilfred F. van Gunsteren "On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm", Journal of Chemical Physics 127 184102 (2007)