marykcoe/cDFT_Package

A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an inhomogeneous one-component hard-sphere or truncated Lennard-Jones fluid in contact with a smooth planar surface, smooth solute or confined within a slit with smooth walls. These surfaces and solutes can be hard or feature attractions with the fluid. This package uses Fundamental Measure Theory and supports the Rosenfeld, White-Bear and White-Bear Mark II functionals.

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