Predictor-Corrector methods: Difference between revisions
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#[http://dx.doi.org/10.1002/jcc.10385 Jirí Kolafa "Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable molecules", Journal of Computational Chemistry '''25''' pp. 335-342 (2004)] | #[http://dx.doi.org/10.1002/jcc.10385 Jirí Kolafa "Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable molecules", Journal of Computational Chemistry '''25''' pp. 335-342 (2004)] | ||
#[http://dx.doi.org/10.1063/1.1884107 Jiri Kolafa "Gear formalism of the always stable predictor-corrector method for molecular dynamics of polarizable molecules", Journal of Chemical Physics '''122''' 164105 (2005)] | #[http://dx.doi.org/10.1063/1.1884107 Jiri Kolafa "Gear formalism of the always stable predictor-corrector method for molecular dynamics of polarizable molecules", Journal of Chemical Physics '''122''' 164105 (2005)] | ||
==External resources== | |||
*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.02 5-value Gear predictor-corrector algorithm] sample FORTRAN computer code from the book [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]. | *[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.02 5-value Gear predictor-corrector algorithm] sample FORTRAN computer code from the book [http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)]. | ||
[[category: molecular dynamics]] | [[category: molecular dynamics]] | ||
Latest revision as of 18:06, 8 February 2009
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References[edit]
- Jirí Kolafa "Time-reversible always stable predictor-corrector method for molecular dynamics of polarizable molecules", Journal of Computational Chemistry 25 pp. 335-342 (2004)
- Jiri Kolafa "Gear formalism of the always stable predictor-corrector method for molecular dynamics of polarizable molecules", Journal of Chemical Physics 122 164105 (2005)
External resources[edit]
- 5-value Gear predictor-corrector algorithm sample FORTRAN computer code from the book M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989).