Long-range interactions: P3M, MMMxD, ELC, MEMD ... - ESPResSo
Long-range interactions: P3M, MMMxD, ELC, MEMD ... - ESPResSo
Long-range interactions: P3M, MMMxD, ELC, MEMD ... - ESPResSo
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<strong>ELC</strong> in <strong>ESPResSo</strong> (AA)http://www.icp.uni-stuttgart.de• using <strong>ELC</strong> for maximal pairwise error τinter coulomb p3m tune accuracy ...inter coulomb elc [k max >] \[ dielectric | dielectric-contrasts ]• gap size g = L z − h has to be specified• user is responsible to keep a gap (by walls or fixed particles)• gap location unimportant• requires P 3 M to be switched on first• allows to fix k max (p, q)-space cutoff (otherwise tuned)ɛ t , ɛ m , ɛ b dielectric constants or∆ t , ∆ b dielectric contrastsA. Arnold <strong>Long</strong>-<strong>range</strong> <strong>interactions</strong> 28/40
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