Transposed inputs for a 5× speed-up
Pre-release
Pre-release
- Transposed all inputs to the excess Gibbs energy function and its derivatives, giving about a 5× speed-up;
- For consistency with Pitzer.jl:
- Simplified osmotic coefficient calculation approach;
- Added direct calculation of water activity by differentiation;
- Changed both
T
andtemp
totempK
in input files and all functions; - Renamed coefficient "dictionary" as "library":
- CoefficientDictionary class becomes CoeffLib;
- cfdict function inputs become cflib;
- Updated documentation to reflect these changes;
- Added io.saveall function to create CSV file for results;
- Switched CoeffLib.get_contents() to use dict key names, not function names, to find ions.