restrict use of averaging schemes#702
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bobmyhill merged 1 commit intogeodynamics:mainfrom Nov 16, 2025
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BREAKING CHANGE
This pull request:
Compositeclass to computedensity,thermal_expansivity,molar_heat_capacity_p,molar_heat_capacity_v,grueneisen_parameter,isentropic_bulk_modulus_reuss,isothermal_bulk_modulus_reuss, and related properties directly using thermodynamically-motivated formulas, rather than delegating to the averaging scheme for scalar properties.effective_isentropic_bulk_modulus(K_eff) andeffective_shear_modulus(G_eff) as new properties in bothMaterialandComposite, with appropriate aliases and documentation, to clarify the distinction between thermodynamically-defined properties and effective properties of mixtures. These functions are averaged using the active AveragingScheme.K_effandG_effin the functions used to calculate seismic velocities.paper_averaging.pyandpaper_incorrect_averaging.py) to use the newK_effandG_effproperty names in place of the previousK_SandG, which are reserved for thermodynamic properties.AveragingSchemebase class, since these are now handled directly inComposite.These changes improve the physical correctness, clarity, and maintainability of the BurnMan codebase, and provide a more consistent API for users working with composite materials.