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US-6.1.2: Optimized neighbor lists (cell list + Verlet list) #81

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US-6.1.2: Optimized neighbor lists (cell list + Verlet list)#81
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epic:performanceEpic 6.1: Performancephase:6Phase 6: Ecosystem (v2.5+)priority:P0Critical — must-have for the phase
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Phase 6: Ecosystem (v2.5+)
@Peariforme

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@Peariforme
Peariforme
opened on Mar 4, 2026

User Story

As a developer, I want optimized neighbor lists for non-bonded interactions.

Acceptance Criteria

  • Cell list: O(N) construction
  • Verlet list: conditional update (skin distance)
  • Benchmark: > 10^4 atoms at 1 ns/day on desktop

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    epic:performanceEpic 6.1: Performancephase:6Phase 6: Ecosystem (v2.5+)priority:P0Critical — must-have for the phase

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