v0.6.1

Version 0.6.1

What's Changed

• v0.6.0 - modernization release by @rkingsbury in #22
• Arithmetic operators for Solution by @rkingsbury in #28
• Units cleanups and enhancements by @rkingsbury in #29
• rename UnitRegistry from unit -> ureg by @rkingsbury in #31
• UnitRegistry: add deprecation warning for ureg by @rkingsbury in #32
• Solution: add TDS / total_dissolved_solids by @rkingsbury in #33
• Solution: enable passing EOS instance as engine by @rkingsbury in #35

Full Changelog: v0.6.0...v0.6.1

v0.6.0

Version 0.6.0

What's Changed

• Feature: move database to modern .JSON format by @rkingsbury in #25
• Documentation overhaul part 1 by @rkingsbury in #26
• Solution.volume property getter/setter by @rkingsbury in #27

Full Changelog: 0.5.2...v0.6.0

pyEQL 0.5.2

This release addresses a bug that caused much of pyEQL to break following an upstream change in the pint library.

pyEQL v0.5.0

pyEQL 0.5.0

A feature release collecting various improvements made over the last few years.

Changes

• Implement the effective Pitzer model for improved activity calculations in multicomponent solutions
• Add support for calculation of activity and osmotic coefficients on different scales
• Add support for calculating % by weight to get_amount()
• Added methods for calculating the osmolarity or osmolality of a Solution
• Add the ability to filter list_concentrations() to show only cations or anions
• Add two medical solutions - normal saline and Ringer's lacate - to the autogenerate method
• Add shorthand abbreviations for 'seawater' and 'wastewater' in the autogenerate method
• Enhance automatic test suite to compare results with experimental data based on relative error
• Add test suites for the effective Pitzer model and a multicomponent salt solution
• DEPRECATED get_mole_fraction. Use get_amount() instead
• Fix bug causing get_activity_coefficient to fail if the solute concentration was zero

pyEQL 0.4.0 - feature and bugfix release

pyEQL 0.4.0

This release contains several important bug fixes related to activity correction and osmotic pressure calculations, a new method for calculating the dielectric constants of salt solutions, and additions to the autogenerate() method that make it easy to create common solutions.

You can read more and see examples of the new features in the release announcement.

Changes

• Add ability to calculate dielectric constant based on solution composition for salts
• Add database entries for the viscosity 'B' parameter for 63 more inorganic ions
• Add domestic wastewater and human urine to the autogenerate() method
• Improve entry point for running automated tests (#16, thanks Hernan Grecco)
• Significantly expand documentation of activity correction methods
• Make output of get_osmotic_coefficient more verbose when Pitzer parameters are not found
• Fix bug causing activity corrections for non 1:1 salts to be calculated incorrectly (#15)
• Fix bug causing 'bad operand type' error when calculating osmotic pressure on some systems
• Fix bug causing ValueError exceptions when a solute has zero concentration
• Numerous fixes and corrections in the documentation

Packaging Hotfix

Some packaging errors in v0.3.0 were preventing pyEQL from install properly from PyPi. This release fixes those problems.

v0.3.0

This release includes many small fixes and enhancements, plus an expanded set of database entries and some new methods for calculating hardness, alkalinity, charge balance, total element concentration, and Bjerrum length. There is also a new method for automatically generating common solutions like seawater.

See the full release announcement on my personal site.

bugfix release for get_amount()

Closes #12

v0.2.1

Added PyPi upload to changelog.

First public release

v0.2.0

Update URL for documentation