jax_md_mod.custom_quantity.ADFParams

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jax_md_mod.custom_quantity.ADFParams#

ADFParams(reference, adf_bin_centers, sigma, r_outer, r_inner)[source]#

Hyperparameters to initialize a angular distribution function (ADF).

Variables:

  • reference_adf – The target adf; initialize with None if no target available

  • adf_bin_centers – The positions of the centers of the adf bins over theta

  • sigma_ADF – Standard deviation of smoothing Gaussian

  • r_outer – Outer radius beyond which particle triplets are not considered

  • r_inner – Inner radius below which particle triplets are not considered

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