pydseamslib.cyoda.neighList

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pydseamslib.cyoda.neighList#

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

All these functions use atom IDs and not indices

Parameters:

  • yCloud (The input molSys::PointCloud)

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

  • typeI (Type ID of particles of type I)

  • typeJ (Type ID of particles of type J)

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