Cell lists
Cell lists (also sometimes referred to as cell linked-lists) is a data structure in molecular dynamics simulations to find all atom pairs within a given cut-off distance of each other. These pairs are needed to compute the short-range non-bonded interactions in a system, such as Van der Waals forces or the short-range part of the electrostatic interaction when using Ewald summation.
Cell lists - Wikipedia Jump to content From Wikipedia, the free encyclopedia Cell lists (also sometimes referred to as cell linked-lists ) is a data structure in molecular dynamics simulations to find all atom pairs within a given cut-off distance of each other. These pairs are needed to compute the short-range non-bonded interactions in a system, such as Van der Waals forces or the short-range part of the electrostatic interaction when using Ewald summation . Algorithm [ edit ] The pairwise interactions for a single particle can be computed by a) computing the interaction to all other particl
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