All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

• Added getters for the fields of Pore1D in Python. #30

• Made FMT functional more flexible w.r.t. the shape of the weight functions. #31
• Changed interface of PairCorrelationFunction to facilitate the calculation of pair correlation functions in mixtures. #29

• Added grand_potential_density getter for DFT profiles in Python. #22

• Renamed AxisGeometry to Geometry. #19
• Removed PyGeometry and PyFMTVersion in favor of a simpler implementation using PyO3's new #[pyclass] for fieldless enums feature. #19
• DFTSolver now uses Verbosity instead of a bool to control its output. #19
• SurfaceTensionDiagram now uses the new StateVec struct to access properties of the bulk phases. #19
• Pore1D::initialize and Pore3D::initialize now accept initial values for the density profiles as optional arguments. #24
• Internally restructured the DFT structure to avoid redundant data. #24
• Removed the m function in FluidParameters, it is instead inferred from HelmholtzEnergyFunctional which is now a supertrait of FluidParameters. #24
• Added optional field cutoff_radius to ExternalPotential::FreeEnergyAveraged. #25

• Updated pyo3 and numpy dependencies to 0.16.
• Updated quantity dependency to 0.5.
• Updated num-dual dependency to 0.5.
• Updated feos-core dependency to 0.2.
• Updated ang dependency to 0.6.
• Removed log dependency.

• The pore volume for Pore3D is now also accesible from Python. #16

• The pore volume using Helium at 298 K as reference is now directly accesible from Pore1D and Pore3D. #13

• Removed the unsendable tag from python classes wherever possible. #14

• HelmholtzEnergyFunctionals can now overwrite the ideal_gas method to provide a non-default ideal gas contribution that is accounted for in the calculation of the entropy, the internal energy and other properties. #10

• Removed the functional field in Pore1D and Pore3D. #9

• Fixed the units of default values for adsorption isotherms. #8

• Updated rustdct dependency to 0.7.

• Initial release