jax_md_mod.custom_quantity.RDFParams

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jax_md_mod.custom_quantity.RDFParams#

RDFParams(reference, rdf_bin_centers, rdf_bin_boundaries, sigma)[source]#

Hyperparameters to initialize the radial distribution function (RDF).

Variables:

  • reference_rdf – The target rdf; initialize with None if no target available

  • rdf_bin_centers – The radial positions of the centers of the rdf bins

  • rdf_bin_boundaries – The radial positions of the edges of the rdf bins

  • sigma_RDF – Standard deviation of smoothing Gaussian

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