jax_md_mod.custom_quantity.TCFParams

Contents

jax_md_mod.custom_quantity.TCFParams#

TCFParams(reference, sigma_tcf, volume, tcf_x_bin_centers, tcf_y_bin_centers, tcf_z_bin_centers)[source]#

Hyperparameters to initialize a triplet correlation function (TFC).

The triplet is defined via the sides x, y, z. Implementation according to https://aip.scitation.org/doi/10.1063/1.4898755 and https://aip.scitation.org/doi/10.1063/5.0048450.

Variables:

  • reference_tcf – The target tcf; initialize with None if no target available

  • sigma_TCF – Standard deviation of smoothing Gaussian

  • volume_TCF – Histogram volume element according to https://journals.aps.org/pra/abstract/10.1103/PhysRevA.42.849

  • tcf_x_bin_centers – The radial positions of the centers of the tcf bins in x direction

  • tcf_y_bin_centers – The radial positions of the centers of the tcf bins in y direction

  • tcf_z_bin_centers – The radial positions of the centers of the tcf bins in z direction

Contents