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added relaxed solutions #582

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merged 1 commit into from Mar 25, 2024
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This PR adds new Solution classes that internally minimize the Gibbs energy over user-defined compositional vectors. This can be useful, for example, to determine the equilibrium state of order in a phase, or the relative amounts of high and low spin iron.

Second derivatives of the Gibbs energy are recalculated to take the relaxation into account.

@bobmyhill bobmyhill merged commit 94f8484 into geodynamics:master Mar 25, 2024
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@bobmyhill bobmyhill deleted the relaxed_solutions branch March 25, 2024 11:01
@bobmyhill bobmyhill added this to In progress in BurnMan 2 Mar 25, 2024
@bobmyhill bobmyhill moved this from In progress to Done in BurnMan 2 Mar 25, 2024
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