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Transposed inputs for a 5× speed-up

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@mvdh7 mvdh7 released this 04 Mar 10:41
dd19832
  • 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 and temp to tempK 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.