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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