Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

Journal of Computational Physics - Tập 52 Số 1 - Trang 24-34 - 1983
Hans Christian Andersen1
1Department of Chemistry, Stanford University, Stanford, California 94305 USA

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Tài liệu tham khảo

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Randall Hall and Bruce J. Berne, private communication.