diff --git a/CHANGELOG.md b/CHANGELOG.md index 1b86dbb..a4b14df 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,8 @@ # SGTPy Changelog +## v0.0.20 +* Extra constraint to prevent the association non-bonded sites solver to return values bigger than ones. +* Phase equilibrium solvers now check if the computed fugacity and volume root are a number. If not, these two are recomputed without using the previous solution as an initial guess, in this case the initial volume root is generated using Topliss method. ## v0.0.19 * The SAFT-gamma-Mie database has been updated to include recent parameters of the following articles: [Febra et al. (2021)](https://doi.org/10.1016/j.fluid.2021.113002), [Wehbe et al. (2022)](https://doi.org/10.1080/00268976.2023.2197712), [Perdomo et al. (2023)](https://doi.org/10.1016/j.fluid.2022.113635), [Valsecchi et al. (2024)](https://doi.org/10.1016/j.fluid.2023.113952) and [Bernet et al. (2024)](https://doi.org/10.1021/acs.jced.3c00358). diff --git a/setup.py b/setup.py index f30cdc8..4a38b4e 100644 --- a/setup.py +++ b/setup.py @@ -39,7 +39,7 @@ setup( name='sgtpy', license='MIT', - version='0.0.19', + version='0.0.20', description='SAFT-VR-MIE EOS and SGT', author='Gustavo Chaparro Maldonado, Andres Mejia Matallana, Erich A. Muller', author_email='g.chaparro-maldonado21@imperial.ac.uk',