Time step - Revision history

Carl McBride: /* References */ Added a publication

2014-01-09T15:55:57Z

References: Added a publication

← Older revision		Revision as of 17:55, 9 January 2014
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	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1063/1.3493459 P. Faccioli "Molecular dynamics at low time resolution", Journal of Chemical Physics '''133''' 164106 (2010)]		*[http://dx.doi.org/10.1063/1.3493459 P. Faccioli "Molecular dynamics at low time resolution", Journal of Chemical Physics '''133''' 164106 (2010)]
			*[http://journal.kcsnet.or.kr/main/j_search/j_download.htm?code=B000413 Jong-In Choe and Byungchul Kim "Determination of Proper Time Step for Molecular Dynamics Simulation", Bulletin of the Korean Chemical Society '''21''' pp. 419-424 (2000)]

	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Nice and Tidy: Added a couple of internal links

2010-11-26T09:22:57Z

Added a couple of internal links

← Older revision		Revision as of 11:22, 26 November 2010
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	{{Stub-general}}		{{Stub-general}}
	The '''time-step''' is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for ~~molecular~~ simulations.		The '''time-step''' (often written as <math>\delta t</math>) is an important variable in [[molecular dynamics]] simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for simulations of [[flexible molecules]].
	==Multiple time steps==		==Multiple time steps==
	<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett, D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref>		<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett, D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref>

Carl McBride: /* References */ Added a recent publication

2010-10-26T10:07:55Z

References: Added a recent publication

← Older revision		Revision as of 12:07, 26 October 2010
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	==References==		==References==
	<references/>		<references/>
			'''Related reading'''
			*[http://dx.doi.org/10.1063/1.3493459 P. Faccioli "Molecular dynamics at low time resolution", Journal of Chemical Physics '''133''' 164106 (2010)]
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride: Added a reference

2010-07-27T14:32:50Z

Added a reference

← Older revision		Revision as of 16:32, 27 July 2010
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	{{Stub-general}}		{{Stub-general}}
	The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.		The '''time-step''' is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.
	==Multiple time steps==		==Multiple time steps==
	A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]):		<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett, D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref>
	*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]		====RESPA====
			A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]) <ref>[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]</ref>.
	==See also==		==See also==
	*[[Dissipative particle dynamics]]		*[[Dissipative particle dynamics]]
			==References==
			<references/>
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

77.99.43.51: /* Multiple time steps */

2007-12-12T17:41:44Z

Multiple time steps

← Older revision		Revision as of 19:41, 12 December 2007
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	The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.		The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.
	==Multiple time steps==		==Multiple time steps==
	A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):		A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]):
	*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]		*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]

	==See also==		==See also==
	*[[Dissipative particle dynamics]]		*[[Dissipative particle dynamics]]
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride at 12:01, 6 December 2007

2007-12-06T12:01:04Z

← Older revision		Revision as of 14:01, 6 December 2007
Line 1:		Line 1:
	{{Stub-general}}		{{Stub-general}}
	The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.		The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.
	==Multiple time steps==		==Multiple time steps==
	A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):		A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):
	*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]		*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]
			==See also==
			*[[Dissipative particle dynamics]]
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Nice and Tidy at 10:27, 27 September 2007

2007-09-27T10:27:29Z

← Older revision		Revision as of 12:27, 27 September 2007
Line 1:		Line 1:
			{{Stub-general}}
	The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.		The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.
	==Multiple time steps==		==Multiple time steps==

Carl McBride at 13:52, 3 September 2007

2007-09-03T13:52:48Z

← Older revision		Revision as of 15:52, 3 September 2007
Line 1:		Line 1:
	The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.		The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.
			==Multiple time steps==
			A well known multiple time step method is the reversible reference system propagator algorithm (RESPA):
			*[http://dx.doi.org/10.1063/1.463137 M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]
	[[category:molecular dynamics]]		[[category:molecular dynamics]]

Carl McBride at 13:06, 24 April 2007

2007-04-24T13:06:41Z

← Older revision		Revision as of 15:06, 24 April 2007
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	The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.		The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.
			[[category:molecular dynamics]]

Carl McBride: New page: The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto ( $10^{-15}$ ) seconds.

2007-03-29T14:08:16Z

New page: The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.

New page

The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.