ClassicalDFT.jl

\[\frac{\delta \Omega[\rho]}{\delta \rho(\vec{r})} = 0\]

A package for classical density functional theory.

Install

julia> import Pkg; Pkg.add("https://gitlab.uni-bayreuth.de/bt306964/ClassicalDFT.jl")

You may also git clone this repository and add or dev the local path.

Features

• Implementations of common functionals in different geometries
• Simple solve interface
• Monitoring with callbacks
• Easy to extend and customize

Index of public interface

• ClassicalDFT.AndersonSolver
• ClassicalDFT.CartesianGeometry
• ClassicalDFT.CompositeFunctional
• ClassicalDFT.FMTFunctional
• ClassicalDFT.MeanFieldFunctional
• ClassicalDFT.MeanFieldFunctional
• ClassicalDFT.NullFunctional
• ClassicalDFT.PercusFunctional
• ClassicalDFT.PicardSolver
• ClassicalDFT.PlanarGeometry
• ClassicalDFT.PrintCallback
• ClassicalDFT.RosenfeldFunctional
• ClassicalDFT.SleepCallback
• ClassicalDFT.SphericalGeometry
• ClassicalDFT.SphericalShellGeometry
• ClassicalDFT.WhiteBearFunctional
• ClassicalDFT.WhiteBearMkIIFunctional
• ClassicalDFT.Fexc_func
• ClassicalDFT.FixedPointAccelerationJLSolver
• ClassicalDFT.LennardJonesMeanFieldFunctional
• ClassicalDFT.PlotCallback
• ClassicalDFT.c1!_func
• ClassicalDFT.c1_func
• ClassicalDFT.coordinate_axes
• ClassicalDFT.coordinate_labels
• ClassicalDFT.coordinate_mesh
• ClassicalDFT.coordinate_size
• ClassicalDFT.geometry
• ClassicalDFT.solve
• ClassicalDFT.total_dims
• ClassicalDFT.Ω_func