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 IdealGasModel enum that collects all implementors of the IdealGas trait. #158
• Added feos.ideal_gas module in Python from which (currently) Joback and JobackParameters are available. #158
• Added binary association parameters to PC-SAFT. #167
• Added derive for EntropyScaling for SAFT-VRQ Mie to ResidualModel and adjusted parameter initialization. #179

• Changed the internal implementation of the association contribution to accomodate more general association schemes. #150
• To comply with the new association implementation, the default values of na and nb are now 0 rather than 1. Parameter files have been adapted accordingly. #150
• Added the possibility to specify a pure component correction parameter phi for the heterosegmented gc PC-SAFT equation of state. #157
• Adjusted all models' implementation of the Parameter trait which now requires Results in some methods. #161
• Renamed EosVariant to ResidualModel. #158
• Added methods to add an ideal gas contribution to an initialized equation of state object in Python. #158
• Moved molar_weight impls to Residual due to removal of MolarWeight trait. #177

• Updated num-dual dependency to 0.7. #137

• Python only: Release the changes introduced in feos-core 0.4.2.

• Python only: Release the changes introduced in feos-core 0.4.1 and feos-dft 0.4.1.

• Replaced some slow array operations to make calculations with multiple associating molecules significantly faster. #129

• Fixed a regression introduced in #108 that lead to incorrect results for the 3B association scheme. #129

• Added SAFT-VRQ Mie equation of state and Helmholtz energy functional for first order Feynman-Hibbs corrected Mie fluids. #79
• Added estimator module to documentation. #86
• Added benchmarks for the evaluation of the Helmholtz energy and some properties of the State object for PC-SAFT. #89
• The Python class StateVec is exposed in both the feos.eos and feos.dft module. #113
• Added uv-B3-theory and additional optional argument virial_order to uvtheory constructor to enable uv-B3. #98

• Export EosVariant and FunctionalVariant directly in the crate root instead of their own modules. #62
• Changed constructors VaporPressure::new and DataSet.vapor_pressure (Python) to take a new optional argument critical_temperature. #86
• The limitations of the homo gc method for PC-SAFT are enforced more strictly. #88
• Removed generics for units in all structs and traits in favor of static SI units. #115

• Updated pyo3 and numpy dependencies to 0.18. #119
• Updated quantity dependency to 0.6. #119
• Updated num-dual dependency to 0.6. #119

• Fixed incorrect indexing that lead to panics in the polar contribution of gc-PC-SAFT. #104
• VaporPressure now returns an empty array instead of crashing. #124

• Major restructuring of the entire feos project. All individual models are reunited in the feos crate. feos-core and feos-dft still live as individual crates within the feos workspace.

• Fixed a bug due to which the default ideal gas contribution was used for every equation of state. #17

• Added gc-PC-SAFT equation of state and Helmholtz energy functional.
• Added PeTS equation of state and Helmholtz energy functional.
• Added UV-Theory equation of state for Mie fluids.

• Combined all equations of state into a single Python class EquationOfState and all Helmholtz energy functionals into the Python class HelmholtzEnergyFunctional. #11

• Updated quantity to 0.5.0.
• Updated feos-core to 0.2.0.
• Updated feos-dft to 0.2.0.
• Updated feos-pcsaft to 0.2.0.

• Added pyproject.toml. #8
• Fixed modules of SI classes to make them pickleable. #8

• Updated feos-core to 0.1.5.
• Updated feos-dft to 0.1.3.

• Initial release