This repository has been archived by the owner on Sep 14, 2022. It is now read-only.

Changelog

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.

[Unreleased]

[0.2.0] - 2022-04-25

Added

PcSaftFunctional now always uses Joback as ideal gas model if parameters are available. #25
Added entropy scaling correlation parameters of viscosity and thermal conductivity for the homo-segmented group contribution method in PcSaftRecord::from_segments. #30
Added parameters published by Loetgering-Lin et al. for entropy scaling of viscosity via homo GC method. #30
Added pyproject.toml. [#31]

Changed

Added optional arguments to the constructor of PcSaftFunctional in Python to make it more analogous to PcSaft. #34
Building Pc-SAFT parameters from segments does not check anymore, whether multiple polar or associating groups are present. #33
Moved the creation of the python module to the build_wheel auxilliary crate, so that only the relevant structs and macros are available for the dependents. #29

Packaging

updated feos-core and feos-dft to 0.2. #30

[0.1.0] - 2022-01-12

Added

Initial release