RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations
type: Item
instance of: scholarly article
title: RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations
zbMATH Open document ID: 0513.65052
DOI: 10.1016/0021-9991(83)90014-1
author: Hans C. Andersen
published in: Journal of Computational Physics
publication date: 1983-01-01T00:00:00Z
Mathematics Subject Classification ID: 65L05
Mathematics Subject Classification ID: 81V55
Mathematics Subject Classification ID: 70F10
Mathematics Subject Classification ID: 70F35
zbMATH DE Number: 3810835
zbMATH Keywords: molecular dynamics
zbMATH Keywords: RATTLE
zbMATH Keywords: equations of motion
zbMATH Keywords: SHAKE
zbMATH Keywords: Verlet algorithm
zbMATH Keywords: atomic velocities
Wikidata QID: Q29038325
MaRDI profile type: Publication
full work available at URL: 0021-9991(83)90014-1
OpenAlex ID: W1977482735
description: scientific article; zbMATH DE number 3810835