Added full outline documentation and function docstrings; Added meta module, with single-source-of-truth version number; Converted lists of solute concentrations (XT) and dissociation constants (KX) to dicts; Renamed MPH functions to complete; Updated various aspects of nomenclature throughout; Switched pH simulator to solve for pH, not [H+]; Active efforts towards MATLAB integration paused
Changes to user functionality: Cleaned up text output and added tables of results. Print the atomic ...
BREAKS API: Renamed AlchemicalFactory to AbsoluteAlchemicalFactory (#206) Major optimizations of The...
This new release gives: Documentation: more examples, list with some related packages and bibliogra...
Renamed many functions and variables, as now described in the conventions documentation; Added plot ...
Updated concentrations.concTotals and dissociation.eqConstants to use PyCO2SYS functions to calculat...
Added convert module with convenience functions to convert acid and sample volumes into masses. Relo...
Module dissociation added with functions to evaluate thermodynamic dissociation constants; Module eq...
Removed pressure input from thermodynamic equilibrium constant functions; Converted copies from shal...
Changes in v23.2.0 Adds (as yet undocumented) Titration class for investigating single titrations. ...
New functionality, improved documentation, and a few breaking changes (hopefully for the better) to ...
Added fun annotation for SAM interfaces in library Explicit public visibility for all public APIs B...
Fix handling of mmcif with empty label_* fields Improve saccharide detection (compare against list f...
What's Changed [MNT] Relax dependencies for sqlalchemy and pandas and drop python 3.7 by @lmmentel ...
The final release of MorphCT before the package refactor to improve ease-of-use and make the code co...
Changes: Add sample method: https://jmejia8.github.io/Metaheuristics.jl/dev/api/#Sampling Add new p...
Changes to user functionality: Cleaned up text output and added tables of results. Print the atomic ...
BREAKS API: Renamed AlchemicalFactory to AbsoluteAlchemicalFactory (#206) Major optimizations of The...
This new release gives: Documentation: more examples, list with some related packages and bibliogra...
Renamed many functions and variables, as now described in the conventions documentation; Added plot ...
Updated concentrations.concTotals and dissociation.eqConstants to use PyCO2SYS functions to calculat...
Added convert module with convenience functions to convert acid and sample volumes into masses. Relo...
Module dissociation added with functions to evaluate thermodynamic dissociation constants; Module eq...
Removed pressure input from thermodynamic equilibrium constant functions; Converted copies from shal...
Changes in v23.2.0 Adds (as yet undocumented) Titration class for investigating single titrations. ...
New functionality, improved documentation, and a few breaking changes (hopefully for the better) to ...
Added fun annotation for SAM interfaces in library Explicit public visibility for all public APIs B...
Fix handling of mmcif with empty label_* fields Improve saccharide detection (compare against list f...
What's Changed [MNT] Relax dependencies for sqlalchemy and pandas and drop python 3.7 by @lmmentel ...
The final release of MorphCT before the package refactor to improve ease-of-use and make the code co...
Changes: Add sample method: https://jmejia8.github.io/Metaheuristics.jl/dev/api/#Sampling Add new p...
Changes to user functionality: Cleaned up text output and added tables of results. Print the atomic ...
BREAKS API: Renamed AlchemicalFactory to AbsoluteAlchemicalFactory (#206) Major optimizations of The...
This new release gives: Documentation: more examples, list with some related packages and bibliogra...
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