# Difference between revisions of "Velocity Verlet algorithm"

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'''Related reading''' | '''Related reading''' | ||

*[http://dx.doi.org/10.1063/1.442716 William C. Swope, Hans C. Andersen, Peter H. Berens and Kent R. Wilson "A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters", Journal of Chemical Physics '''76''' pp. 637-649 (1982)] | *[http://dx.doi.org/10.1063/1.442716 William C. Swope, Hans C. Andersen, Peter H. Berens and Kent R. Wilson "A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters", Journal of Chemical Physics '''76''' pp. 637-649 (1982)] | ||

+ | *[https://doi.org/10.1063/1.5008438 Jaewoon Jung, Chigusa Kobayashi, and Yuji Sugita "Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation", Journal of Chemical Physics '''148''' 164109 (2018)] | ||

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==External resources== | ==External resources== | ||

*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.04 Velocity version of Verlet algorithm ] sample FORTRAN computer code from the book [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]. | *[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.04 Velocity version of Verlet algorithm ] sample FORTRAN computer code from the book [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]. | ||

[[category: Molecular dynamics]] | [[category: Molecular dynamics]] |

## Latest revision as of 11:46, 3 May 2018

The **Velocity Verlet algorithm**, for use in molecular dynamics, is given by ^{[1]}:

where is the position, is the velocity, is the acceleration and is the time. is known as the time step.

## See also[edit]

## References[edit]

**Related reading**

- William C. Swope, Hans C. Andersen, Peter H. Berens and Kent R. Wilson "A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters", Journal of Chemical Physics
**76**pp. 637-649 (1982) - Jaewoon Jung, Chigusa Kobayashi, and Yuji Sugita "Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation", Journal of Chemical Physics
**148**164109 (2018)

## External resources[edit]

- Velocity version of Verlet algorithm sample FORTRAN computer code from the book M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989).