Revisiting and parallelizing SHAKE

Journal of Computational Physics

Volumn 209, Issue 1, 2005, Pages 193-206

  Weinbach, Yael ^a   Elber, Ron ^b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b School of Operations Research and Information Engineering   (United States)

Author keywords

Conjugate gradient; Dynamics with constraints; Lagrange multipliers

Indexed keywords

CONJUGATE GRADIENT METHOD; MOLECULAR DYNAMICS;

COMMUNICATION TIME; CONJUGATE GRADIENT; CONJUGATE GRADIENT MINIMIZATIONS; DYNAMIC WITH CONSTRAINT; ITERATION PROCESS; LOAD-BALANCING; MOLECULAR DYNAMICS TRAJECTORIES; PARALLELIZING; SPARSE LINEAR PROBLEM;

LAGRANGE MULTIPLIERS;

EID: 20344362895     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcp.2005.03.015     Document Type: Article

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