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:

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

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

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 "The potential calculation and some applications", Methods in Computational Physics vol. 9 pp. 135-211 Academic Press, New York (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)