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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…

Art, Periodic boundary conditions & Overview

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Periodic boundary conditions

1 related topics

Overview

3 related topics

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Overview

Periodic boundary conditions

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Cell lists

Nodes7
Edges6
Triples5
Avg. degree1.71
Density0.285714
Components1

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Cell lists

Top relations

related to Algorithm · 3
Cell lists → Cell, In, The
related to Periodic boundary conditions · 2
Cell lists → In, Using

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Important terminology

displaystyle cell cells distance particles computed pairwise cut-off pairs number edge length approach within interactions periodic also cost given boundary

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
Cell listsrelated to AlgorithmCell0.60section
Cell listsrelated to AlgorithmThe0.60section
Cell listsrelated to AlgorithmIn0.60section
Cell listsrelated to Periodic boundary conditionsIn0.60section
Cell listsrelated to Periodic boundary conditionsUsing0.60section

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