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WIP: Faster tag_surface_atoms#67

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ftherrien wants to merge 1 commit intouncertaintyfrom
faster_surface
Open

WIP: Faster tag_surface_atoms#67
ftherrien wants to merge 1 commit intouncertaintyfrom
faster_surface

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@ftherrien ftherrien commented Aug 16, 2024

The goal of this PR is to accelerate tag_surface_atoms which is a bottleneck for disconnected FAENET

  • Avoiding voronoi when height is already a surface
  • Accelerating _find_surface_atoms_with_voronoi

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