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

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