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dc.contributor.author
Gonnet, Pedro
dc.contributor.author
Walther, Jens H.
dc.contributor.author
Koumoutsakos, Petros
dc.date.accessioned
2017-06-14T11:47:09Z
dc.date.available
2017-06-14T11:47:09Z
dc.date.issued
2009-03
dc.identifier.issn
0010-4655
dc.identifier.issn
1879-2944
dc.identifier.other
10.1016/j.cpc.2008.10.020
dc.identifier.uri
http://hdl.handle.net/20.500.11850/157118
dc.language.iso
en
dc.publisher
Elsevier
dc.subject
Molecular dynamics
dc.subject
Simulations
dc.subject
Constraints
dc.subject
Angular constraints
dc.subject
SHAKE
dc.subject
M-SHAKE
dc.subject
P-SHAKE
dc.subject
Lagrange multipliers
dc.title
Theta-SHAKE
dc.type
Journal Article
ethz.title.subtitle
An extension to SHAKE for the explicit treatment of angular constraints
ethz.journal.title
Computer Physics Communications
ethz.journal.volume
180
ethz.journal.issue
3
ethz.journal.abbreviated
Comput. phys. commun.
ethz.pages.start
360
ethz.pages.end
364
ethz.notes
Received 19 June 2008, Received in revised form 12 September 2008, Accepted 21 October 2008, Available online 14 November 2008.
ethz.identifier.wos
ethz.identifier.nebis
000045256
ethz.publication.place
Amsterdam
ethz.publication.status
published
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02130 - Dep. Maschinenbau und Verfahrenstechnik / Dep. of Mechanical and Process Eng.::03499 - Koumoutsakos, Petros / Koumoutsakos, Petros
ethz.leitzahl
03249 - Gander, Walter
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02130 - Dep. Maschinenbau und Verfahrenstechnik / Dep. of Mechanical and Process Eng.::03499 - Koumoutsakos, Petros / Koumoutsakos, Petros
ethz.leitzahl.certified
03249 - Gander, Walter
ethz.date.deposited
2017-06-14T11:54:39Z
ethz.source
ECIT
ethz.identifier.importid
imp59364ce1540bb62251
ethz.ecitpid
pub:35404
ethz.eth
yes
ethz.availability
Metadata only
ethz.rosetta.installDate
2017-07-13T08:47:36Z
ethz.rosetta.lastUpdated
2019-02-02T10:23:03Z
ethz.rosetta.exportRequired
true
ethz.rosetta.versionExported
true
ethz.COinS
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