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fix: use projected element space for GP equilibrium reaction energy#4629

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shyuep merged 2 commits intomasterfrom
fix/gppd-equilibrium-reaction-energy-open-element
Apr 7, 2026
Merged

fix: use projected element space for GP equilibrium reaction energy#4629
shyuep merged 2 commits intomasterfrom
fix/gppd-equilibrium-reaction-energy-open-element

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@shyuep shyuep commented Apr 7, 2026

Use projected composition elements when building the equilibrium-reaction sub-hull for GrandPotential entries, and add a regression test covering open-element original compositions.

Made-with: Cursor

Fixes #4628

Use projected composition elements when building the equilibrium-reaction sub-hull for GrandPotential entries, and add a regression test covering open-element original compositions.

Made-with: Cursor
@shyuep shyuep requested a review from mkhorton as a code owner April 7, 2026 07:56
@shyuep shyuep merged commit 593c358 into master Apr 7, 2026
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@shyuep shyuep deleted the fix/gppd-equilibrium-reaction-energy-open-element branch April 7, 2026 08:20
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GrandPotentialPhaseDiagram.get_equilibrium_reaction_energy raises for stable entries with open element

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