pydseamslib.cyoda.getq6

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pydseamslib.cyoda.getq6#

pydseamslib.cyoda.getq6(yCloud: pydseamslib.cyoda.PointCloudDouble, nList: List[List[int]], isSlice: bool) → List[float]#

q6 can distinguish between water and ice. Use this for the largest ice cluster.

Parameters:

  • yCloud (The output molSys::PointCloud)

  • nList (Row-ordered neighbour list by atom ID)

  • isSlice (This decides whether there is a slice or not)

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