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FIX: Fix PyCalphad Model.ast being defined in moles of formula units - #295

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bocklund merged 3 commits into
PhasesResearchLab:masterfrom
bocklund:refactor-ast-formula-units
Sep 28, 2026
Merged

bocklund merged 3 commits into
PhasesResearchLab:masterfrom
bocklund:refactor-ast-formula-units

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See pycalphad/pycalphad#724 for details

pycalphad Model contributions (Model.ast and Model.models) are now built
per mole of formula units, with GM = ast / _site_ratio_normalization.
Remove the mole-atoms to mole-formula conversions that would now double
count the normalization, subtract per-formula model attributes (e.g. V0)
after converting data to per-formula units, and normalize V0 where molar
values are needed. Convert the hard-coded per-mole-atoms GM fixture in the
response vector test at hot-patch time.
@bocklund
bocklund merged commit 25d650a into PhasesResearchLab:master Sep 28, 2026
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