CPMD - Revision history

95.116.127.139: Typo

2020-09-07T20:08:24Z

Typo

← Older revision		Revision as of 22:08, 7 September 2020
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	[http://www.cpmd.org/ CPMD] (~~Carr~~-Parrinello molecular dynamics) is a parallelized plane wave/pseudopotential implementation of		[http://www.cpmd.org/ CPMD] (Car-Parrinello molecular dynamics) is a parallelized plane wave/pseudopotential implementation of
	[[density-functional theory]], particularly designed for [[Ab initio molecular dynamics \|''ab-initio'' molecular dynamics]].		[[density-functional theory]], particularly designed for [[Ab initio molecular dynamics \|''ab-initio'' molecular dynamics]].
	CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.		CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.

2010-02-03T15:35:18Z

Added two publications.

← Older revision		Revision as of 17:35, 3 February 2010
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	[http://www.cpmd.org/ Carr-Parrinello ~~Molecular Dynamics]~~ is a parallelized plane wave/pseudopotential implementation of		[http://www.cpmd.org/ CPMD] (Carr-Parrinello molecular dynamics) is a parallelized plane wave/pseudopotential implementation of
	[[density-functional theory]], particularly designed for ''ab-initio'' ~~[[Ab initio molecular dynamics \|~~molecular dynamics]].		[[density-functional theory]], particularly designed for [[Ab initio molecular dynamics \|''ab-initio'' molecular dynamics]].
	CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.		CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.
	==References==		==References==
			*[http://dx.doi.org/10.1016/S0167-8191(00)00014-4 Wanda Andreoni and Alessandro Curioni "New advances in chemistry and materials science with CPMD and parallel computing", Parallel Computing '''26''' pp. 819-842 (2000)]
			*[http://dx.doi.org/10.1016/j.parco.2004.12.004 Jürg Hutter and Alessandro Curioni "Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code", Parallel Computing '''31''' pp. 1-17 (2005)]
	[[Category: Materials modelling and computer simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

2008-09-05T12:42:56Z

A little more detail.

← Older revision		Revision as of 14:42, 5 September 2008
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of
	[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].		[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].
			CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.
			==References==
	[[Category: Materials modelling and computer simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

2007-10-30T17:55:10Z

← Older revision		Revision as of 19:55, 30 October 2007
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of
	[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].		[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].
	[[Category: Materials modelling and ~~Computer~~ simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

2007-10-30T17:47:20Z

← Older revision		Revision as of 19:47, 30 October 2007
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of
	[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].		[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].
	[[Category: Materials ~~modeling~~ and Computer simulation codes]]		[[Category: Materials modelling and Computer simulation codes]]

2007-10-26T09:56:50Z

← Older revision		Revision as of 11:56, 26 October 2007
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of ~~Density Functional Theory~~, particularly designed for ''ab-initio'' molecular dynamics.		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of
			[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics \|molecular dynamics]].
	[[Category: Materials modeling and Computer simulation codes]]		[[Category: Materials modeling and Computer simulation codes]]

2007-02-26T15:58:01Z

← Older revision		Revision as of 17:58, 26 February 2007
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ''ab-initio'' molecular dynamics.		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ''ab-initio'' molecular dynamics.
			[[Category: Materials modeling and Computer simulation codes]]

2007-02-23T14:43:32Z

← Older revision		Revision as of 16:43, 23 February 2007
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ''ab-initio'' molecular dynamics.

2007-02-22T08:56:19Z

← Older revision		Revision as of 10:56, 22 February 2007
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	[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics]		[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

2007-02-22T08:25:02Z

New page: [http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics]

New page

[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics]