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pycalphad 0.11.3.dev8+g144d83d3f documentation
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pycalphad 0.11.3.dev8+g144d83d3f documentation
  • Install PyCalphad
  • FAQ
  • Release Notes

How-to

  • Examples
    • 1. Phase Diagrams
      • 1.1. Plotting Isobaric Binary Phase Diagrams with binplot
      • 1.2. Plotting Ternary Phase Diagrams and Using Triangular Axes
      • 1.3. Plotting using the Mapping API
      • 1.4. Phases with Electrically Charged Species
    • 2. Computing Properties
      • 2.1. Phase Fractions and Phase Compositions vs Temperature
      • 2.2. Gibbs Energy of Each Phase at Fixed Composition
      • 2.3. Heat Capacity of Cementite (\(Fe_3C\))
      • 2.4. Equilibrium Properties and Partial Ordering (Al-Fe and Al-Ni)
      • 2.5. Custom Models in pycalphad: Viscosity
      • 2.6. Calculating Energy Surfaces [Legacy Method]
    • 3. High Throughput Analysis
      • 3.1. High-throughput Calculations
      • 3.2. Exploring calculate and equilibrium xarray Datasets
      • 3.3. Screening for Phase Stability
    • 4. Metastability and Reference States
      • 4.1. Calculations with Reference States
      • 4.2. Metastability calculations
      • 4.3. Calculate and Plot Activity
      • 4.4. Special _MIX Reference State

Developer

  • Releasing PyCalphad
  • Onboarding as a Developer
  • Contributing to PyCalphad
  • API Documentation
    • pycalphad package
      • pycalphad.codegen package
      • pycalphad.core package
      • pycalphad.io package
      • pycalphad.mapping package
        • pycalphad.mapping.strategy package
      • pycalphad.models package
      • pycalphad.plot package
        • pycalphad.plot.binary package
      • pycalphad.property_framework package
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