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• 01:48, 10 May 2022 Admin talk contribs created page Ammm:Mm ewald (Created page with "==Truncation of long-range interaction== For condense-phase simualtion, Periodic Boundary Conditon is used to avoid the boundary effect. 480px It is expensive to compute all pairs of interactions. Solution: cutoff? Longer cutoff is (may be) more accurate but more expensive. 480px ==Electrostatics== Electrostatic interactions die off very slowly. In crystal the interaction can be rather long-ranged. '''Cutoff is a bad idea.'...")