Common molecular dynamics algorithms revisited: Accuracy and optimal time steps of Störmer-Leapfrog integrators

Journal of Computational Physics

Volumn 136, Issue 2, 1997, Pages 354-365

  Mazur, Alexy K ^a  

^a France   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ERRORS; INTERPOLATION;

DYNAMICS SIMULATION; INTERPOLATION ERROR; LEAPFROG SCHEME; MOLECULAR DYNAMICS ALGORITHMS; OPTIMAL TIME; PERFORMANCE OF ALGORITHM; STEP SIZE; STRIKING EFFECTS; TIME STEP; TOTAL ENERGY;

MOLECULAR DYNAMICS;

EID: 0031572111     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.1997.5740     Document Type: Article

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