Verlet leap-frog algorithm

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

$r(t+\delta t)=r(t)+\delta tv(t+\frac{1}{2}\delta t)$

$v(t+\frac{1}{2}\delta t)=v(t-\frac{1}{2}\delta t)+\delta ta(t)$

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

• Velocity Verlet algorithm

References

Related reading

• 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)