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CHANGES: TawnyCalc

Release 0.4.0 []

  • Added THERMOCALC binaries for Windows, Apple & Linux. Working but not tested extensively on Windows. Working and tested on Linux. Not as of yet tested on Apple.
  • Minor fixes for some error checking.
  • Tweaks for version numbering.
  • Pip installable.

Release 0.3.0 []

  • Update datasets.
  • Added icfile_denitions.txt.
  • Added chemical_systems.py.
  • Add Tute1_bulk-comp-stable-assemblage.ipynb example and associated data files.
  • Add check for oxides.
  • Minor documentation tweaks.
  • Minor updates for THERMOCALC changes.

Release 0.2.0 []

  • New data files added.
  • New examples added.
  • Thermocalc script files are now first class TawnyCalc data objects.
  • Load/Save/Copy functionality added to script and results objects.
  • Improved handling of ThermoCalc subprocess. A default timeout parameter has been added, along with better access to resultant job standard output (via the print_output() method).
  • Updates for ThermoCalc 3.50

Release 0.1.0 []

  • Initial release of TawnyCalc.
  • Basic ThermoCalc job orchestration capabilities.