v0.8.0

Fixed

• Fixed the handling of association records in combination with induced association in PC-SAFT #264

Packaging

• Updated quantity dependency to 0.10. #262
• Updated num-dual dependency to 0.11. #262
• Updated numpy and PyO3 dependencies to 0.23. #262

feos-dft-v0.8.0

Added

• Added henry_coefficients and ideal_gas_enthalpy_of_adosrption to PoreProfile. #263

Packaging

• Updated quantity dependency to 0.10. #262
• Updated num-dual dependency to 0.11. #262
• Updated numpy and PyO3 dependencies to 0.23. #262
• Updated gauss-quad dependency to 0.2. #261

feos-core-v0.8.0

Added

• Added ReferenceSystem trait to handle conversion between SI units and reduced units. #257
• Readded Molarweight trait to avoid extra implementation requirements for some models. #258

Removed

• Removed si module after the compile-time units are incorporated into the quantity crate. #257

Packaging

• Updated quantity dependency to 0.10. #262
• Updated num-dual dependency to 0.11. #262
• Updated numpy and PyO3 dependencies to 0.23. #262

v0.7.0

Added

• Added SAFT-VR Mie equation of state. #237
• Added ePC-SAFT equation of state. #229

Changed

• Updated model implementations to account for the removal of trait objects for Helmholtz energy contributions and the de Broglie in feos-core. #226
• Changed Helmholtz energy functions in PcSaft contributions so that the temperature-dependent diameter is re-used across different contributions. #226
• Renamed structs in uvtheory module in accordance with names in other models (UV... to UVTheory...). #226
• Restructured uvtheory module: added modules for BH and WCA. #226
• Updated github action versions for CI/CD. #226
• Added codegen-units = 1 to release-lto profile. #226

Removed

• Removed VirialOrder from uvtheory module. Orders are now variants of the existing Perturbation enum. #226

Packaging

• Updated quantity dependency to 0.8. #238
• Updated num-dual dependency to 0.9. #238
• Updated numpy and PyO3 dependencies to 0.21. #238

v0.6.1

• Python only: Release the changes introduced in feos-core 0.6.1.

v0.6.0

Added

• Added EquationOfState.ideal_gas() to initialize an equation of state that only consists of an ideal gas contribution. #204
• Added PureRecord, SegmentRecord, Identifier, and IdentifierOption to feos.ideal_gas. #205
• Added implementation of the Joback ideal gas model that was previously part of feos-core. #204
• Added an implementation of the ideal gas heat capacity based on DIPPR equations. #204
• Added re-exports for the members of feos-core and feos-dft in the new modules feos::core and feos::dft. #212

Changed

• Split feos.ideal_gas into feos.joback and feos.dippr. #204

v0.5.1

• Python only: Release the changes introduced in feos-core 0.5.1.

v0.5.0

Added

• 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

• 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

Packaging

• Updated quantity dependency to 0.7.
• Updated num-dual dependency to 0.8. #137
• Updated numpy and PyO3 dependencies to 0.20.

v0.4.3

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

v0.4.2

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