Statements (17)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational method
|
| gptkbp:appliesTo |
periodic boundary conditions
|
| gptkbp:citation |
gptkb:Toukmaji,_A.Y.,_Board,_J.A._(1996)_Comput._Phys._Commun._95,_73-92
de Leeuw, S.W., Perram, J.W., Smith, E.R. (1980) Proc. R. Soc. Lond. A 373, 27-56 |
| gptkbp:computes |
long-range dipole-dipole interactions
|
| gptkbp:developedBy |
systems with dipolar interactions
|
| gptkbp:extendsTo |
gptkb:Ewald_summation
|
| https://www.w3.org/2000/01/rdf-schema#label |
Ewald summation for dipoles
|
| gptkbp:involves |
real space sum
reciprocal space sum self-interaction correction |
| gptkbp:requires |
convergence parameter
lattice summation |
| gptkbp:usedIn |
gptkb:Monte_Carlo_simulations
molecular dynamics simulations |
| gptkbp:bfsParent |
gptkb:Ewald_summation
|
| gptkbp:bfsLayer |
5
|