v0.10.0

[prehner]

Added

• Extended tp-flash algorithm to static numbers of components and enabled automatic differentiation for binary systems. #336
• Rewrote PhaseEquilibrium::pure_p to mirror pure_t and enabled automatic differentiation. #337
• Added boiling_temperature to the list of properties for parallel evaluations of gradients. #337
• Added the Composition trait to allow more flexibility in the creation of states and phase equilibria. #330
• Added PhaseEquilibrium::ph_flash and PhaseEquilibrium::ps_flash. #338
• Added getters for vapor_phase_fraction, molar_enthalpy, molar_entropy, total_moles, enthalpy, and entropy to PhaseEquilibrium. #338
• Added PropertyAD trait in feos_core::ad with one struct per property for uniform evaluation with or without parameter derivatives, including parallel variants. #358
• Added feos_core::ad::dataset module with PureDataset and BinaryDataset types, constructible from records, CSV files, or readers, for use in parameter fits. #358
• Exposed Property, PureDataset, and BinaryDataset in py-feos. #358
• Implemented IdealGasAD<D> for Dippr. #357
• Added PhaseEquilibrium::binary_azeotrope that quickly finds azeotropes in binary mixtures for a given temperature or pressure. #365

Changed

• Removed any assumptions about the total number of moles in a State or PhaseEquilibrium. Evaluating extensive properties now returns a Result. #330
• Redesigned the IdealGas trait and added IdealGasAD in analogy to ResidualDyn and Residual. #330
• Replaced the PropertiesAD blanket-impl trait with per-property PropertyAD types. #358
• Replaced ParametersAD::named_derivatives with a build constructor and seed_derivatives(&values, names). #358
• Removed the per-property *_derivatives free functions in Python in favour of static methods on the new Property class. #358

Removed

• Removed the StateBuilder struct, because it is mostly obsolete with the addition of the Composition trait. #330

Packaging

• Updated quantity dependency to 0.13 and removed the typenum dependency. #328
• Added csv as a feos-core dependency for the new dataset module. #358
• Updated pyo3, pythonize and numpy dependencies to 0.29. #360
• Updated quantity and num-dual dependencies to 0.14. #360
• Updated nalgebra dependency to 0.35. #360
• Updated gauss-quad dependency to 0.3. #360
• Update itertools dependency to 0.15.

---

This discussion was created from the release v0.10.0.