Andersen thermostat: Difference between revisions
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Carl McBride (talk | contribs) (New page: {{Stub-general}} ==See also== *Lowe-Andersen thermostat ==References== #[http://dx.doi.org/10.1063/1.439486 Hans C. Andersen "Molecular dynamics simulations at constant pressure and/or...) |
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The '''Andersen thermostat''' (Ref. 1) should only be used for time-independent properties. Dynamic properties, such as the [[diffusion]], should not be calculated if the system is thermostated using the Andersen algorithm (Ref. 2) | |||
==See also== | ==See also== | ||
*[[Lowe-Andersen thermostat]] | *[[Lowe-Andersen thermostat]] | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.439486 Hans C. Andersen "Molecular dynamics simulations at constant pressure and/or temperature", Journal of Chemical Physics '''72''' pp. 2384-2393 (1980)] | #[http://dx.doi.org/10.1063/1.439486 Hans C. Andersen "Molecular dynamics simulations at constant pressure and/or temperature", Journal of Chemical Physics '''72''' pp. 2384-2393 (1980)] | ||
#[http://dx.doi.org/10.1063/1.445020 H. Tanaka, Koichiro Nakanishi, and Nobuatsu Watanabe "Constant temperature molecular dynamics calculation on Lennard-Jones fluid and its application to water", Journal of Chemical Physics '''78''' pp. 2626-2634 (1983)] | |||
[[Category: Molecular dynamics]] | [[Category: Molecular dynamics]] | ||
Revision as of 16:39, 14 November 2007
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The Andersen thermostat (Ref. 1) should only be used for time-independent properties. Dynamic properties, such as the diffusion, should not be calculated if the system is thermostated using the Andersen algorithm (Ref. 2)
See also
References
- Hans C. Andersen "Molecular dynamics simulations at constant pressure and/or temperature", Journal of Chemical Physics 72 pp. 2384-2393 (1980)
- H. Tanaka, Koichiro Nakanishi, and Nobuatsu Watanabe "Constant temperature molecular dynamics calculation on Lennard-Jones fluid and its application to water", Journal of Chemical Physics 78 pp. 2626-2634 (1983)