Editing Ewald sum
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==Particle mesh== | ==Particle mesh== | ||
<ref>[http://dx.doi.org/10.1063/1.464397 Tom Darden, Darrin York, and Lee Pedersen "Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems", Journal of Chemical Physics '''98''' pp. 10089-10092 (1993 | <ref>[http://dx.doi.org/10.1063/1.464397 Tom Darden, Darrin York, and Lee Pedersen "Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems", Journal of Chemical Physics '''98''' pp. 10089-10092 (1993)]</ref> | ||
====Smooth particle mesh (SPME)==== | ====Smooth particle mesh (SPME)==== | ||
SPME<ref>[http://dx.doi.org/10.1063/1.470117 Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, and Lee G. Pedersen "A smooth particle mesh Ewald method", Journal of Chemical Physics '''103''' pp. 8577-8593 (1995)]</ref>. Optimisation | SPME<ref>[http://dx.doi.org/10.1063/1.470117 Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, and Lee G. Pedersen "A smooth particle mesh Ewald method", Journal of Chemical Physics '''103''' pp. 8577-8593 (1995)]</ref>. Optimisation | ||
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*[http://dx.doi.org/10.1016/0010-4655(95)00058-N Paul E. Smith and B. Montgomery Pettitt "Efficient Ewald electrostatic calculations for large systems", Computer Physics Communications '''91''' pp. 339-344 (1995)] | *[http://dx.doi.org/10.1016/0010-4655(95)00058-N Paul E. Smith and B. Montgomery Pettitt "Efficient Ewald electrostatic calculations for large systems", Computer Physics Communications '''91''' pp. 339-344 (1995)] | ||
*[http://dx.doi.org/10.1063/1.2206581 Christopher J. Fennell and J. Daniel Gezelter "Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics", Journal of Chemical Physics '''124''' 234104 (2006)] | *[http://dx.doi.org/10.1063/1.2206581 Christopher J. Fennell and J. Daniel Gezelter "Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics", Journal of Chemical Physics '''124''' 234104 (2006)] | ||
==External resources== | ==External resources== | ||
*[ftp://ftp.dl.ac.uk/ccp5/ALLEN_TILDESLEY/F.22 Routines to perform the Ewald sum] 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.22 Routines to perform the Ewald sum] 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: Computer simulation techniques]] | [[category: Computer simulation techniques]] | ||
[[category: electrostatics]] | [[category: electrostatics]] |