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ENH: Generalize phase composition support #35

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merged 5 commits into from
Jul 22, 2024

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bocklund
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Until now we have only tracked liquid phase compositions in x_liquid. Now we are tracking phase compositions of all phases. Note that we don't yet support phase multiplicities, so miscibility gaps will give potentially meaningless results.

We are keeping x_liquid around for now for backwards compatibility, but eventually it should probably be removed and superseded by phase_compositions (since the liquid phase is in the phase_compositions dictionary).

This change also introduces tracking of the phase composition of the dependent component as well, for convenience.

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cc @nury12n

@bocklund bocklund merged commit 90a0e20 into master Jul 22, 2024
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@bocklund bocklund deleted the phase-composition-support branch July 22, 2024 22:26
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