API Documentation

qdiffusivity

qdiffusivity Quantile-based estimation of local diffusivities in molecular dynamics simulations of nanoconfined liquids

qdiffusivity.density

Kernel density estimator for transverse density profiles.

qdiffusivity.diffusivity

Kernel density estimator for position-dependent diffusivity.

qdiffusivity.binned

CDF-binned transverse density and diffusivity profiles.