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Figure 1
Schematic diagram of the cell-list-based domain decomposition in a 2D toy system. (Top) Representative cell pairs are color coded and grouped by center-to-center distance; the minimum (rmin) and maximum (rmax) possible interatomic distances within a pair are indicated. (Bottom) Memory access pattern during PDF computation. Grouping cell pairs with similar center-to-center distances improves cache reuse and localizes updates to the nearby PDF bin.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 59| Part 5| October 2026|
https://doi.org/10.1107/S1600576726007429