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@HaoZeke HaoZeke released this 16 Aug 14:48
· 155 commits to main since this release
26ff3ee

Optional gpulite device path: linkcell::gpu::Workspace::knearest_into writes the same packed n * k indices as the host walk. Occupancy defaults to threads-per-particle 8 (HOOMD / vesin), overridable by LINKCELL_TPP and LINKCELL_BLOCK. Setup copies ride the workspace stream. Orthorhombic cells, k <= 16.