How to directly obtain site fraction of sublattice #379
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What I need is site fraction at various temperatures and compositions, I want site fraction to be output. How to do. Please |
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For an equilibrium calculation, Details in the documentation: https://pycalphad.org/docs/latest/examples/UsingCalculationResults.html#equilibrium-results |
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OK, THANKS |
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There's now also an example notebook in our cookbook that gives an example for extracting site fractions vs. temperature to see an order/disorder transformation: https://github.com/pycalphad/cookbook/blob/master/OrderingSiteFractions/OrderingSiteFractions.ipynb |
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For an equilibrium calculation,
eq = equilibrium(...), the objecteq.Ycontains the equilibrium values of the site fractions. The site fractions will be in sublattice order, and then in alphabetical order (by component) within each sublattice.Details in the documentation: https://pycalphad.org/docs/latest/examples/UsingCalculationResults.html#equilibrium-results