theta-SHAKE: An extension to SHAKE for the explicit treatment of angular constraints

P. Gonnet, Jens Honore Walther, Petros Koumoutsakos

Research output: Contribution to journalJournal articleResearchpeer-review

Original languageEnglish
JournalComputer Physics Communications
Volume180
Issue number3
Pages (from-to)360-364
ISSN0010-4655
DOIs
Publication statusPublished - 2009

Cite this

@article{d625e7ce24474425b2b8d93cebc351c0,
title = "theta-SHAKE: An extension to SHAKE for the explicit treatment of angular constraints",
author = "P. Gonnet and Walther, {Jens Honore} and Petros Koumoutsakos",
year = "2009",
doi = "10.1016/j.cpc.2008.10.020",
language = "English",
volume = "180",
pages = "360--364",
journal = "Computer Physics Communications",
issn = "0010-4655",
publisher = "Elsevier",
number = "3",

}

theta-SHAKE: An extension to SHAKE for the explicit treatment of angular constraints. / Gonnet, P.; Walther, Jens Honore; Koumoutsakos, Petros.

In: Computer Physics Communications, Vol. 180, No. 3, 2009, p. 360-364.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - theta-SHAKE: An extension to SHAKE for the explicit treatment of angular constraints

AU - Gonnet, P.

AU - Walther, Jens Honore

AU - Koumoutsakos, Petros

PY - 2009

Y1 - 2009

U2 - 10.1016/j.cpc.2008.10.020

DO - 10.1016/j.cpc.2008.10.020

M3 - Journal article

VL - 180

SP - 360

EP - 364

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

IS - 3

ER -