Verlet leap-frog algorithm: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) No edit summary |
Carl McBride (talk | contribs) m (→References: Add a Ref.) |
||
Line 11: | Line 11: | ||
#[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 11:39, 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
- 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)
- 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)