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calphy documentation
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calphy documentation
  • Installation
  • Documentation
    • calphy input file
    • Running calphy
    • Running calphy on computing clusters
  • Examples
    • Example 01: Calculation of free energy
    • Example 02: Phase transformation in Fe
    • Example 03: Manual calculation of Cu melting temperature
    • Example 04: Automated calculation of melting temperature
    • Example 04: Pressure-temperature phase diagram of Cu
    • Example 06: Running calphy from jupyter notebooks
    • Example 07: Upsampling calculations
    • Example 08: Temperature scaling two ways
    • Example 09: Pressure scaling
  • calphy package
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Documentation#

  • calphy input file
  • Running calphy
  • Running calphy on computing clusters
    • Adding a new scheduler
      • Editing scheduler.py
      • Adding calphy to a submission script
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