v2.0.7

Bug fixing: bad dependencies declarations for PyPI ugropy v2.0.5. The new version of rdkit and numpy broke ugropy

Full Changelog: v2.0.5...v2.0.7

v2.0.5

What's Changed

• 18 implement constantinou and gani model by @SalvadorBrandolin in #21
• Migration to pathlib and cache groups for better end-user experience by @fedebenelli in #23
• pathlib to models module and Windows and MacOS added to CI by @SalvadorBrandolin in #25
• release 2.0.5 by @SalvadorBrandolin in #26

New Contributors

• @fedebenelli made their first contribution in #23

Full Changelog: v2.0.0...v2.0.5

v2.0.0

What's Changed

• Changes in ugropy API. get_model_groups no longer exist. All model uses the get_groups function (see tutorial)
• New writer! Now ugropy can write the group dictionaries for Caleb Bell's Thermo library.
• New feature ".draw()": Now the fragmentation models results return a Fragmentation object that allows the user to represent the fragmentation result graphically (see tutorial)
• Changes in the algorithm: ugropy checks if the solution can be fitted in the molecule's atoms before throwing the solution for molecules with composed structures.

Full Changelog: v1.0.0...v2.0.0

v1.0.0

Models supported v1.0.0

• Classic liquid-vapor UNIFAC
• Predictive Soave-Redlich-Kwong (PSRK)
• Joback

Writers

• Clapeyron.jl