pydseamslib.cyoda.rdf2Danalysis_AA

pydseamslib.cyoda.rdf2Danalysis_AA#

pydseamslib.cyoda.rdf2Danalysis_AA(path: str, rdfValues: List[float], yCloud: pydseamslib.cyoda.PointCloudDouble, cutoff: float, binwidth: float, firstFrame: int, finalFrame: int) → int#

Calculates the in-plane RDF for quasi-two-dimensional water, when both the atoms are of the same type

Parameters:

  • path (The file path of the output directory to which output files will be written)

  • rdfValues (Vector containing the RDF values)

  • yCloud (The input PointCloud)

  • cutoff (Cutoff for the RDF. This should not be greater than half the box length)

  • binwidth (Width of the bin for histogramming)

  • firstFrame (The first frame for RDF binning)

  • finalFrame (The final frame for RDF binning)

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