pydseamslib.cyoda.halfNeighList

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pydseamslib.cyoda.halfNeighList#

pydseamslib.cyoda.halfNeighList(yCloud: float, rcutoff: pydseamslib.cyoda.PointCloudDouble, typeI: int) → List[List[int]]#

Inefficient O(n^2) implementation of neighbour lists

Parameters:

  • yCloud (The input molSys::PointCloud)

  • cutoff (Distance cutoff, within which two atoms are neighbours)

  • typeI (Type ID of the i^th particle type)

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