New approaches for molecular dynamics simulations with nonholonomic constraints

DOI10.1016/S0010-4655(98)00204-5zbMath0998.81121OpenAlexW2078710828MaRDI QIDQ1613819

Ramzi Kutteh

Publication date: 2 September 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(98)00204-5

zbMATH Keywords

generalized SHAKE scheme

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Cites Work

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