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update changelog
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rkingsbury committed Aug 22, 2023
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11 changes: 9 additions & 2 deletions CHANGELOG.md
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Expand Up @@ -5,17 +5,24 @@ All notable changes to this project will be documented in this file.
The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).

## [Unreleased]
## [0.7.0] - 2023-08-22

### Changed

- `Solution` now more robustly converts any user-supplied formulas into unique values using `pymatgen.core.ion.Ion.reduced_formula`. This means that the `.components` or `solvent` attributes may now differ slightly from whatever is entered during `__init__`. For example, `Solution(solvent='H2O').solvent` gives `H2O(aq)`. This behavior resolved a small bug that could occur when mixing solutions. User supplied formulas passed to `get_amount` or `Solution.components[xxx]` can still be any valid formula. E.g., `Solution.components["Na+"]`, `Solution.components["Na+1"]`, and `Solution.components["Na[+]"]` will all return the same thing.

## [0.6.1] - 2023-08-22

### Added

- `Solution`: enable passing an `EOS` instance to the `engine` kwarg.
- `Solution`: new properties `total_dissolved_solids` and alias `TDS`
- `Solution`: support new units in `get_amount` - ppm, ppb, eq/L, etc.
- `Solution`: implemented arithmetic operations `+` (for mixing two solutions), `*` and `\` for scaling their amounts

### Changed

- `Solution` now more robustly converts any user-supplied formulas into unique values using `pymatgen.core.ion.Ion.reduced_formula`. This means that the `.components` or `solvent` attributes may now differ slightly from whatever is entered during `__init__`. For example, `Solution(solvent='H2O').solvent` gives `H2O(aq)`. This behavior resolved a small bug that could occur when mixing solutions. User supplied formulas passed to `get_amount` or `Solution.components[xxx]` can still be any valid formula. E.g., `Solution.components["Na+"]`, `Solution.components["Na+1"]`, and `Solution.components["Na[+]"]` will all return the same thing.

- `pyEQL.unit` was renamed to `pyEQL.ureg` (short for `UnitRegistry`) for consistency with the `pint` documentation and tutorials.

## [v0.6.0] - 2023-08-15
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