Release v0.2.4

PyES Version 0.2.4

Moved to new software stack:

• Custom PPG instead of fbs to allow the use of newer Python and library versions;
• PySide6 over PyQt5;
• Moved the virtualenv handling to Poetry

Release v0.2.3

PyES Version 0.2.3

Tentative fixing for path exporting on Windows

Release v0.2.2

PyES Version 0.2.2

A critical bug concerning the update of LogKs has been fixed

Release v0.2.1

PyES4 Version 0.2.1

A few of the issues that were present in v0.2.0 have been addressed in this hotfix:

• Saturation index of solid species was checked at each iteration causing divergence issues
• Titration at variable ionic strength wasn't possible due to a bug in the way the background ions were calculated
• Damping is now more aggressive, convergence to the initial guess for N-R should be faster
• Fixed minor typos
  The possibility of plotting solid species and percentages has been added.
  Please bare in mind that plotting is still in an early stage, it's mostly being implemented as a proof of concept at the moment.

Release v0.2.0

PyES4 Version 0.2.0

Minor update for PyES, a lot of features have been reworked and for that reason compatibility has been broken with previous versions.

Feature added:

• Solid Computation
• New damping routine
• Cleaned up export

Release v0.1.1

PyES4 Version 0.1.1

Changelog:

• Fix calculation of percentages not being computed correctly
• Add sensible tooltips for some fields

Release v0.1.0

PyES4 Version 0.1.0

First release for PyES4. This build isn't a complete product and more functionality refinement will be intoduced via hotfix and/or patches.

As of today the software is able to compute the distribution of species for various systems given the components and their analytical concentrations in addition to the formation constants for the various species.

The output solution can be computed with constant or variable ionic strength. The referenc ionic strength the terms of the Debye–Hückel equation can be defined on a species base or globally.

Some plotting functionality is present with the ability to show the distribution of species plotted against the indipendent component concentration.

The results from the calculation can be exported as .xlsx/.csv files.

For the time being these functions are still disabled but their introduction is planned for future releases:

• Simulation of titration curves.
• Propagation of uncertainty and relative errors.
• Solid phases