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MDAnalysis / distopia

SIMD instructions for faster distance calculations.
https://www.mdanalysis.org/distopia/
MIT License
10 stars 5 forks source link

Consider making triclinic loop counters `size_t` #150

Open hmacdope opened 12 months ago

hmacdope commented 12 months ago

Could we make these loop counters size_t? Is there any reason they have to go from -1, 0, 1 and cant go 0, 1, 2 ?

size_t can help with the loop vectorisation.