Autogenerated Full API#
- Materials
- Material Base Class
MaterialMaterial.nameMaterial.set_method()Material.to_string()Material.debug_print()Material.print_minerals_of_current_state()Material.set_state()Material.set_state_with_volume()Material.reset()Material.copy()Material.unroll()Material.evaluate()Material.pressureMaterial.temperatureMaterial.molar_internal_energyMaterial.molar_gibbsMaterial.molar_helmholtzMaterial.molar_massMaterial.molar_volumeMaterial.densityMaterial.molar_entropyMaterial.molar_enthalpyMaterial.isothermal_bulk_modulusMaterial.adiabatic_bulk_modulusMaterial.isothermal_compressibilityMaterial.adiabatic_compressibilityMaterial.shear_modulusMaterial.p_wave_velocityMaterial.bulk_sound_velocityMaterial.shear_wave_velocityMaterial.grueneisen_parameterMaterial.thermal_expansivityMaterial.molar_heat_capacity_vMaterial.molar_heat_capacity_pMaterial.PMaterial.TMaterial.energyMaterial.helmholtzMaterial.gibbsMaterial.VMaterial.rhoMaterial.SMaterial.HMaterial.K_TMaterial.K_SMaterial.beta_TMaterial.beta_SMaterial.isothermal_bulk_modulus_reussMaterial.adiabatic_bulk_modulus_reussMaterial.isothermal_compressibility_reussMaterial.adiabatic_compressibility_reussMaterial.GMaterial.v_pMaterial.v_phiMaterial.v_sMaterial.grMaterial.alphaMaterial.C_vMaterial.C_p
- Perple_X Class
PerplexMaterialPerplexMaterial.namePerplexMaterial.set_state()PerplexMaterial.molar_volumePerplexMaterial.molar_enthalpyPerplexMaterial.molar_entropyPerplexMaterial.isothermal_bulk_modulusPerplexMaterial.adiabatic_bulk_modulusPerplexMaterial.molar_heat_capacity_pPerplexMaterial.thermal_expansivityPerplexMaterial.shear_modulusPerplexMaterial.p_wave_velocityPerplexMaterial.bulk_sound_velocityPerplexMaterial.shear_wave_velocityPerplexMaterial.molar_gibbsPerplexMaterial.molar_massPerplexMaterial.densityPerplexMaterial.molar_internal_energyPerplexMaterial.molar_helmholtzPerplexMaterial.isothermal_compressibilityPerplexMaterial.adiabatic_compressibilityPerplexMaterial.molar_heat_capacity_vPerplexMaterial.grueneisen_parameterPerplexMaterial.C_pPerplexMaterial.C_vPerplexMaterial.GPerplexMaterial.HPerplexMaterial.K_SPerplexMaterial.K_TPerplexMaterial.PPerplexMaterial.SPerplexMaterial.TPerplexMaterial.VPerplexMaterial.adiabatic_bulk_modulus_reussPerplexMaterial.adiabatic_compressibility_reussPerplexMaterial.alphaPerplexMaterial.beta_SPerplexMaterial.beta_TPerplexMaterial.copy()PerplexMaterial.debug_print()PerplexMaterial.energyPerplexMaterial.evaluate()PerplexMaterial.gibbsPerplexMaterial.grPerplexMaterial.helmholtzPerplexMaterial.isothermal_bulk_modulus_reussPerplexMaterial.isothermal_compressibility_reussPerplexMaterial.pressurePerplexMaterial.print_minerals_of_current_state()PerplexMaterial.reset()PerplexMaterial.rhoPerplexMaterial.set_method()PerplexMaterial.set_state_with_volume()PerplexMaterial.temperaturePerplexMaterial.to_string()PerplexMaterial.unroll()PerplexMaterial.v_pPerplexMaterial.v_phiPerplexMaterial.v_s
- Minerals
- Endmembers
MineralMineral.nameMineral.set_method()Mineral.to_string()Mineral.debug_print()Mineral.unroll()Mineral.set_state()Mineral.molar_gibbsMineral.molar_volumeMineral.molar_entropyMineral.isothermal_bulk_modulusMineral.molar_heat_capacity_pMineral.thermal_expansivityMineral.shear_modulusMineral.formulaMineral.molar_massMineral.densityMineral.molar_internal_energyMineral.molar_helmholtzMineral.molar_enthalpyMineral.adiabatic_bulk_modulusMineral.isothermal_compressibilityMineral.adiabatic_compressibilityMineral.p_wave_velocityMineral.bulk_sound_velocityMineral.shear_wave_velocityMineral.C_pMineral.C_vMineral.GMineral.HMineral.K_SMineral.K_TMineral.PMineral.SMineral.TMineral.VMineral.adiabatic_bulk_modulus_reussMineral.adiabatic_compressibility_reussMineral.alphaMineral.beta_SMineral.beta_TMineral.copy()Mineral.energyMineral.evaluate()Mineral.gibbsMineral.grMineral.grueneisen_parameterMineral.helmholtzMineral.isothermal_bulk_modulus_reussMineral.isothermal_compressibility_reussMineral.pressureMineral.print_minerals_of_current_state()Mineral.reset()Mineral.rhoMineral.set_state_with_volume()Mineral.temperatureMineral.v_pMineral.v_phiMineral.v_sMineral.molar_heat_capacity_v
- Solutions
SolutionSolution.nameSolution.endmembersSolution.set_composition()Solution.set_method()Solution.set_state()Solution.formulaSolution.site_occupanciesSolution.site_formula()Solution.activitiesSolution.activity_coefficientsSolution.molar_internal_energySolution.excess_partial_gibbsSolution.excess_partial_volumesSolution.excess_partial_entropiesSolution.partial_gibbsSolution.partial_volumesSolution.partial_entropiesSolution.excess_gibbsSolution.gibbs_hessianSolution.entropy_hessianSolution.volume_hessianSolution.molar_gibbsSolution.molar_helmholtzSolution.molar_massSolution.excess_volumeSolution.molar_volumeSolution.densitySolution.excess_entropySolution.molar_entropySolution.excess_enthalpySolution.molar_enthalpySolution.isothermal_bulk_modulusSolution.adiabatic_bulk_modulusSolution.isothermal_compressibilitySolution.adiabatic_compressibilitySolution.shear_modulusSolution.p_wave_velocitySolution.bulk_sound_velocitySolution.shear_wave_velocitySolution.grueneisen_parameterSolution.thermal_expansivitySolution.molar_heat_capacity_vSolution.molar_heat_capacity_pSolution.stoichiometric_matrixSolution.stoichiometric_arraySolution.reaction_basisSolution.n_reactionsSolution.independent_element_indicesSolution.dependent_element_indicesSolution.compositional_null_basisSolution.endmember_formulaeSolution.endmember_namesSolution.n_endmembersSolution.elementsSolution.C_pSolution.C_vSolution.GSolution.HSolution.K_SSolution.K_TSolution.PSolution.SSolution.TSolution.VSolution.adiabatic_bulk_modulus_reussSolution.adiabatic_compressibility_reussSolution.alphaSolution.beta_SSolution.beta_TSolution.copy()Solution.debug_print()Solution.energySolution.evaluate()Solution.gibbsSolution.grSolution.helmholtzSolution.isothermal_bulk_modulus_reussSolution.isothermal_compressibility_reussSolution.pressureSolution.print_minerals_of_current_state()Solution.reset()Solution.rhoSolution.set_state_with_volume()Solution.temperatureSolution.to_string()Solution.unroll()Solution.v_pSolution.v_phiSolution.v_s
SolidSolutionElasticSolutionElasticSolution.nameElasticSolution.endmembersElasticSolution.set_composition()ElasticSolution.set_method()ElasticSolution.set_state()ElasticSolution.formulaElasticSolution.activitiesElasticSolution.activity_coefficientsElasticSolution.molar_internal_energyElasticSolution.partial_gibbsElasticSolution.partial_volumesElasticSolution.partial_entropiesElasticSolution.gibbs_hessianElasticSolution.molar_helmholtzElasticSolution.molar_gibbsElasticSolution.molar_massElasticSolution.excess_pressureElasticSolution.molar_volumeElasticSolution.densityElasticSolution.excess_entropyElasticSolution.molar_entropyElasticSolution.excess_enthalpyElasticSolution.molar_enthalpyElasticSolution.isothermal_bulk_modulusElasticSolution.adiabatic_bulk_modulusElasticSolution.isothermal_compressibilityElasticSolution.adiabatic_compressibilityElasticSolution.shear_modulusElasticSolution.p_wave_velocityElasticSolution.bulk_sound_velocityElasticSolution.shear_wave_velocityElasticSolution.grueneisen_parameterElasticSolution.thermal_expansivityElasticSolution.molar_heat_capacity_vElasticSolution.molar_heat_capacity_pElasticSolution.stoichiometric_matrixElasticSolution.stoichiometric_arrayElasticSolution.reaction_basisElasticSolution.n_reactionsElasticSolution.independent_element_indicesElasticSolution.dependent_element_indicesElasticSolution.compositional_null_basisElasticSolution.endmember_formulaeElasticSolution.endmember_namesElasticSolution.n_endmembersElasticSolution.elementsElasticSolution.C_pElasticSolution.C_vElasticSolution.GElasticSolution.HElasticSolution.K_SElasticSolution.K_TElasticSolution.PElasticSolution.SElasticSolution.TElasticSolution.VElasticSolution.adiabatic_bulk_modulus_reussElasticSolution.adiabatic_compressibility_reussElasticSolution.alphaElasticSolution.beta_SElasticSolution.beta_TElasticSolution.copy()ElasticSolution.debug_print()ElasticSolution.energyElasticSolution.evaluate()ElasticSolution.gibbsElasticSolution.grElasticSolution.helmholtzElasticSolution.isothermal_bulk_modulus_reussElasticSolution.isothermal_compressibility_reussElasticSolution.pressureElasticSolution.print_minerals_of_current_state()ElasticSolution.reset()ElasticSolution.rhoElasticSolution.set_state_with_volume()ElasticSolution.temperatureElasticSolution.to_string()ElasticSolution.unroll()ElasticSolution.v_pElasticSolution.v_phiElasticSolution.v_s
ElasticSolidSolution
- Mineral helpers
HelperSpinTransitionHelperSpinTransition.debug_print()HelperSpinTransition.set_state()HelperSpinTransition.C_pHelperSpinTransition.C_vHelperSpinTransition.GHelperSpinTransition.HHelperSpinTransition.K_SHelperSpinTransition.K_THelperSpinTransition.PHelperSpinTransition.SHelperSpinTransition.THelperSpinTransition.VHelperSpinTransition.adiabatic_bulk_modulusHelperSpinTransition.adiabatic_bulk_modulus_reussHelperSpinTransition.adiabatic_compressibilityHelperSpinTransition.adiabatic_compressibility_reussHelperSpinTransition.alphaHelperSpinTransition.beta_SHelperSpinTransition.beta_THelperSpinTransition.bulk_sound_velocityHelperSpinTransition.chemical_potential()HelperSpinTransition.compositional_null_basisHelperSpinTransition.copy()HelperSpinTransition.densityHelperSpinTransition.dependent_element_indicesHelperSpinTransition.elementsHelperSpinTransition.endmember_formulaeHelperSpinTransition.endmember_namesHelperSpinTransition.endmember_partial_gibbsHelperSpinTransition.endmembers_per_phaseHelperSpinTransition.energyHelperSpinTransition.equilibratedHelperSpinTransition.evaluate()HelperSpinTransition.formulaHelperSpinTransition.gibbsHelperSpinTransition.grHelperSpinTransition.grueneisen_parameterHelperSpinTransition.helmholtzHelperSpinTransition.independent_element_indicesHelperSpinTransition.isothermal_bulk_modulusHelperSpinTransition.isothermal_bulk_modulus_reussHelperSpinTransition.isothermal_compressibilityHelperSpinTransition.isothermal_compressibility_reussHelperSpinTransition.molar_enthalpyHelperSpinTransition.molar_entropyHelperSpinTransition.molar_gibbsHelperSpinTransition.molar_heat_capacity_pHelperSpinTransition.molar_heat_capacity_vHelperSpinTransition.molar_helmholtzHelperSpinTransition.molar_internal_energyHelperSpinTransition.molar_massHelperSpinTransition.molar_volumeHelperSpinTransition.n_elementsHelperSpinTransition.n_endmembersHelperSpinTransition.n_reactionsHelperSpinTransition.nameHelperSpinTransition.p_wave_velocityHelperSpinTransition.pressureHelperSpinTransition.print_minerals_of_current_state()HelperSpinTransition.reaction_affinitiesHelperSpinTransition.reaction_basisHelperSpinTransition.reaction_basis_as_stringsHelperSpinTransition.reduced_stoichiometric_arrayHelperSpinTransition.reset()HelperSpinTransition.rhoHelperSpinTransition.set_averaging_scheme()HelperSpinTransition.set_components()HelperSpinTransition.set_fractions()HelperSpinTransition.set_method()HelperSpinTransition.set_state_with_volume()HelperSpinTransition.shear_modulusHelperSpinTransition.shear_wave_velocityHelperSpinTransition.stoichiometric_arrayHelperSpinTransition.stoichiometric_matrixHelperSpinTransition.temperatureHelperSpinTransition.thermal_expansivityHelperSpinTransition.to_string()HelperSpinTransition.unroll()HelperSpinTransition.v_pHelperSpinTransition.v_phiHelperSpinTransition.v_s
- Anisotropic materials
AnisotropicMaterialAnisotropicMaterial.isentropic_stiffness_tensorAnisotropicMaterial.full_isentropic_stiffness_tensorAnisotropicMaterial.isentropic_compliance_tensorAnisotropicMaterial.full_isentropic_compliance_tensorAnisotropicMaterial.densityAnisotropicMaterial.isentropic_bulk_modulus_voigtAnisotropicMaterial.isentropic_bulk_modulus_reussAnisotropicMaterial.isentropic_bulk_modulus_vrhAnisotropicMaterial.isentropic_shear_modulus_voigtAnisotropicMaterial.isentropic_shear_modulus_reussAnisotropicMaterial.isentropic_shear_modulus_vrhAnisotropicMaterial.isentropic_universal_elastic_anisotropyAnisotropicMaterial.isentropic_isotropic_poisson_ratioAnisotropicMaterial.christoffel_tensor()AnisotropicMaterial.isentropic_linear_compressibility()AnisotropicMaterial.isentropic_youngs_modulus()AnisotropicMaterial.isentropic_shear_modulus()AnisotropicMaterial.isentropic_poissons_ratio()AnisotropicMaterial.wave_velocities()AnisotropicMaterial.C_pAnisotropicMaterial.C_vAnisotropicMaterial.GAnisotropicMaterial.HAnisotropicMaterial.K_SAnisotropicMaterial.K_TAnisotropicMaterial.PAnisotropicMaterial.SAnisotropicMaterial.TAnisotropicMaterial.VAnisotropicMaterial.adiabatic_bulk_modulusAnisotropicMaterial.adiabatic_bulk_modulus_reussAnisotropicMaterial.adiabatic_compressibilityAnisotropicMaterial.adiabatic_compressibility_reussAnisotropicMaterial.alphaAnisotropicMaterial.beta_SAnisotropicMaterial.beta_TAnisotropicMaterial.bulk_sound_velocityAnisotropicMaterial.copy()AnisotropicMaterial.debug_print()AnisotropicMaterial.energyAnisotropicMaterial.evaluate()AnisotropicMaterial.gibbsAnisotropicMaterial.grAnisotropicMaterial.grueneisen_parameterAnisotropicMaterial.helmholtzAnisotropicMaterial.isothermal_bulk_modulusAnisotropicMaterial.isothermal_bulk_modulus_reussAnisotropicMaterial.isothermal_compressibilityAnisotropicMaterial.isothermal_compressibility_reussAnisotropicMaterial.molar_enthalpyAnisotropicMaterial.molar_entropyAnisotropicMaterial.molar_gibbsAnisotropicMaterial.molar_heat_capacity_pAnisotropicMaterial.molar_heat_capacity_vAnisotropicMaterial.molar_helmholtzAnisotropicMaterial.molar_internal_energyAnisotropicMaterial.molar_massAnisotropicMaterial.molar_volumeAnisotropicMaterial.nameAnisotropicMaterial.p_wave_velocityAnisotropicMaterial.pressureAnisotropicMaterial.print_minerals_of_current_state()AnisotropicMaterial.reset()AnisotropicMaterial.rhoAnisotropicMaterial.set_method()AnisotropicMaterial.set_state()AnisotropicMaterial.set_state_with_volume()AnisotropicMaterial.shear_modulusAnisotropicMaterial.shear_wave_velocityAnisotropicMaterial.temperatureAnisotropicMaterial.thermal_expansivityAnisotropicMaterial.to_string()AnisotropicMaterial.unroll()AnisotropicMaterial.v_pAnisotropicMaterial.v_phiAnisotropicMaterial.v_s
AnisotropicMineralAnisotropicMineral.nameAnisotropicMineral.standard_psi_function()AnisotropicMineral.set_state()AnisotropicMineral.deformation_gradient_tensorAnisotropicMineral.unrotated_cell_vectorsAnisotropicMineral.deformed_coordinate_frameAnisotropicMineral.rotation_matrixAnisotropicMineral.cell_vectorsAnisotropicMineral.cell_parametersAnisotropicMineral.shear_modulusAnisotropicMineral.isothermal_bulk_modulusAnisotropicMineral.isentropic_bulk_modulusAnisotropicMineral.isothermal_bulk_modulus_reussAnisotropicMineral.isothermal_compressibilityAnisotropicMineral.isentropic_compressibilityAnisotropicMineral.isothermal_bulk_modulus_voigtAnisotropicMineral.isothermal_compressibility_reussAnisotropicMineral.beta_TAnisotropicMineral.isothermal_compressibility_voigtAnisotropicMineral.isentropic_compressibility_reussAnisotropicMineral.beta_SAnisotropicMineral.isentropic_compressibility_voigtAnisotropicMineral.isothermal_compliance_tensorAnisotropicMineral.thermal_expansivity_tensorAnisotropicMineral.isothermal_stiffness_tensorAnisotropicMineral.full_isothermal_compliance_tensorAnisotropicMineral.full_isothermal_stiffness_tensorAnisotropicMineral.full_isentropic_compliance_tensorAnisotropicMineral.isentropic_compliance_tensorAnisotropicMineral.isentropic_stiffness_tensorAnisotropicMineral.full_isentropic_stiffness_tensorAnisotropicMineral.grueneisen_tensorAnisotropicMineral.grueneisen_parameterAnisotropicMineral.isothermal_compressibility_tensorAnisotropicMineral.isentropic_compressibility_tensorAnisotropicMineral.thermal_stress_tensorAnisotropicMineral.C_pAnisotropicMineral.C_vAnisotropicMineral.GAnisotropicMineral.HAnisotropicMineral.K_SAnisotropicMineral.K_TAnisotropicMineral.PAnisotropicMineral.SAnisotropicMineral.TAnisotropicMineral.VAnisotropicMineral.adiabatic_bulk_modulusAnisotropicMineral.adiabatic_bulk_modulus_reussAnisotropicMineral.adiabatic_compressibilityAnisotropicMineral.adiabatic_compressibility_reussAnisotropicMineral.alphaAnisotropicMineral.bulk_sound_velocityAnisotropicMineral.christoffel_tensor()AnisotropicMineral.copy()AnisotropicMineral.debug_print()AnisotropicMineral.densityAnisotropicMineral.energyAnisotropicMineral.evaluate()AnisotropicMineral.formulaAnisotropicMineral.gibbsAnisotropicMineral.grAnisotropicMineral.helmholtzAnisotropicMineral.isentropic_bulk_modulus_reussAnisotropicMineral.isentropic_bulk_modulus_voigtAnisotropicMineral.isentropic_bulk_modulus_vrhAnisotropicMineral.isentropic_isotropic_poisson_ratioAnisotropicMineral.isentropic_linear_compressibility()AnisotropicMineral.isentropic_poissons_ratio()AnisotropicMineral.isentropic_shear_modulus()AnisotropicMineral.isentropic_shear_modulus_reussAnisotropicMineral.isentropic_shear_modulus_voigtAnisotropicMineral.isentropic_shear_modulus_vrhAnisotropicMineral.isentropic_universal_elastic_anisotropyAnisotropicMineral.isentropic_youngs_modulus()AnisotropicMineral.molar_enthalpyAnisotropicMineral.molar_entropyAnisotropicMineral.molar_gibbsAnisotropicMineral.molar_heat_capacity_pAnisotropicMineral.molar_heat_capacity_vAnisotropicMineral.molar_helmholtzAnisotropicMineral.molar_internal_energyAnisotropicMineral.molar_isometric_heat_capacityAnisotropicMineral.molar_massAnisotropicMineral.molar_volumeAnisotropicMineral.p_wave_velocityAnisotropicMineral.pressureAnisotropicMineral.print_minerals_of_current_state()AnisotropicMineral.reset()AnisotropicMineral.rhoAnisotropicMineral.set_method()AnisotropicMineral.set_state_with_volume()AnisotropicMineral.shear_wave_velocityAnisotropicMineral.temperatureAnisotropicMineral.thermal_expansivityAnisotropicMineral.to_string()AnisotropicMineral.unroll()AnisotropicMineral.v_pAnisotropicMineral.v_phiAnisotropicMineral.v_sAnisotropicMineral.wave_velocities()AnisotropicMineral.check_standard_parameters()
cell_parameters_to_vectors()cell_vectors_to_parameters()
- Endmembers
- Composites
CompositeComposite.nameComposite.set_fractions()Composite.set_method()Composite.set_averaging_scheme()Composite.set_state()Composite.debug_print()Composite.unroll()Composite.to_string()Composite.formulaComposite.molar_internal_energyComposite.molar_gibbsComposite.molar_helmholtzComposite.molar_volumeComposite.molar_massComposite.densityComposite.molar_entropyComposite.molar_enthalpyComposite.isothermal_bulk_modulusComposite.adiabatic_bulk_modulusComposite.isothermal_compressibilityComposite.adiabatic_compressibilityComposite.shear_modulusComposite.p_wave_velocityComposite.bulk_sound_velocityComposite.shear_wave_velocityComposite.grueneisen_parameterComposite.thermal_expansivityComposite.molar_heat_capacity_vComposite.molar_heat_capacity_pComposite.endmember_partial_gibbsComposite.reaction_affinitiesComposite.equilibratedComposite.set_components()Composite.chemical_potential()Composite.stoichiometric_matrixComposite.stoichiometric_arrayComposite.reaction_basisComposite.reaction_basis_as_stringsComposite.n_reactionsComposite.independent_element_indicesComposite.dependent_element_indicesComposite.reduced_stoichiometric_arrayComposite.compositional_null_basisComposite.endmember_formulaeComposite.endmember_namesComposite.endmembers_per_phaseComposite.elementsComposite.n_endmembersComposite.n_elementsComposite.C_pComposite.C_vComposite.GComposite.HComposite.K_SComposite.K_TComposite.PComposite.SComposite.TComposite.VComposite.adiabatic_bulk_modulus_reussComposite.adiabatic_compressibility_reussComposite.alphaComposite.beta_SComposite.beta_TComposite.copy()Composite.energyComposite.evaluate()Composite.gibbsComposite.grComposite.helmholtzComposite.isothermal_bulk_modulus_reussComposite.isothermal_compressibility_reussComposite.pressureComposite.print_minerals_of_current_state()Composite.reset()Composite.rhoComposite.set_state_with_volume()Composite.temperatureComposite.v_pComposite.v_phiComposite.v_s
- Calibrants
- Material Base Class
- Equations of state
- Base class
EquationOfStateEquationOfState.volume()EquationOfState.pressure()EquationOfState.density()EquationOfState.grueneisen_parameter()EquationOfState.isothermal_bulk_modulus()EquationOfState.adiabatic_bulk_modulus()EquationOfState.shear_modulus()EquationOfState.molar_heat_capacity_v()EquationOfState.molar_heat_capacity_p()EquationOfState.thermal_expansivity()EquationOfState.gibbs_free_energy()EquationOfState.helmholtz_free_energy()EquationOfState.entropy()EquationOfState.enthalpy()EquationOfState.molar_internal_energy()EquationOfState.validate_parameters()
- Murnaghan
MurnaghanMurnaghan.volume()Murnaghan.pressure()Murnaghan.isothermal_bulk_modulus()Murnaghan.adiabatic_bulk_modulus()Murnaghan.shear_modulus()Murnaghan.entropy()Murnaghan.molar_internal_energy()Murnaghan.gibbs_free_energy()Murnaghan.molar_heat_capacity_v()Murnaghan.molar_heat_capacity_p()Murnaghan.thermal_expansivity()Murnaghan.grueneisen_parameter()Murnaghan.validate_parameters()Murnaghan.density()Murnaghan.enthalpy()Murnaghan.helmholtz_free_energy()
- Birch-Murnaghan
- Base class
BirchMurnaghanBaseBirchMurnaghanBase.volume()BirchMurnaghanBase.pressure()BirchMurnaghanBase.isothermal_bulk_modulus()BirchMurnaghanBase.adiabatic_bulk_modulus()BirchMurnaghanBase.shear_modulus()BirchMurnaghanBase.entropy()BirchMurnaghanBase.molar_internal_energy()BirchMurnaghanBase.gibbs_free_energy()BirchMurnaghanBase.molar_heat_capacity_v()BirchMurnaghanBase.molar_heat_capacity_p()BirchMurnaghanBase.thermal_expansivity()BirchMurnaghanBase.grueneisen_parameter()BirchMurnaghanBase.validate_parameters()BirchMurnaghanBase.density()BirchMurnaghanBase.enthalpy()BirchMurnaghanBase.helmholtz_free_energy()
- BM2
BM2BM2.adiabatic_bulk_modulus()BM2.density()BM2.enthalpy()BM2.entropy()BM2.gibbs_free_energy()BM2.grueneisen_parameter()BM2.helmholtz_free_energy()BM2.isothermal_bulk_modulus()BM2.molar_heat_capacity_p()BM2.molar_heat_capacity_v()BM2.molar_internal_energy()BM2.pressure()BM2.shear_modulus()BM2.thermal_expansivity()BM2.validate_parameters()BM2.volume()
- BM3
BM3BM3.adiabatic_bulk_modulus()BM3.density()BM3.enthalpy()BM3.entropy()BM3.gibbs_free_energy()BM3.grueneisen_parameter()BM3.helmholtz_free_energy()BM3.isothermal_bulk_modulus()BM3.molar_heat_capacity_p()BM3.molar_heat_capacity_v()BM3.molar_internal_energy()BM3.pressure()BM3.shear_modulus()BM3.thermal_expansivity()BM3.validate_parameters()BM3.volume()
- BM4
BM4BM4.volume()BM4.pressure()BM4.isothermal_bulk_modulus()BM4.adiabatic_bulk_modulus()BM4.shear_modulus()BM4.entropy()BM4.molar_internal_energy()BM4.gibbs_free_energy()BM4.molar_heat_capacity_v()BM4.molar_heat_capacity_p()BM4.thermal_expansivity()BM4.grueneisen_parameter()BM4.validate_parameters()BM4.density()BM4.enthalpy()BM4.helmholtz_free_energy()
- Base class
- Vinet
VinetVinet.volume()Vinet.pressure()Vinet.isothermal_bulk_modulus()Vinet.adiabatic_bulk_modulus()Vinet.shear_modulus()Vinet.entropy()Vinet.molar_internal_energy()Vinet.gibbs_free_energy()Vinet.molar_heat_capacity_v()Vinet.molar_heat_capacity_p()Vinet.thermal_expansivity()Vinet.grueneisen_parameter()Vinet.validate_parameters()Vinet.density()Vinet.enthalpy()Vinet.helmholtz_free_energy()
- Morse Potential
MorseMorse.volume()Morse.pressure()Morse.isothermal_bulk_modulus()Morse.adiabatic_bulk_modulus()Morse.shear_modulus()Morse.entropy()Morse.molar_internal_energy()Morse.gibbs_free_energy()Morse.molar_heat_capacity_v()Morse.molar_heat_capacity_p()Morse.thermal_expansivity()Morse.grueneisen_parameter()Morse.validate_parameters()Morse.density()Morse.enthalpy()Morse.helmholtz_free_energy()
- Reciprocal K-prime
RKprimeRKprime.volume()RKprime.pressure()RKprime.isothermal_bulk_modulus()RKprime.adiabatic_bulk_modulus()RKprime.shear_modulus()RKprime.entropy()RKprime.gibbs_free_energy()RKprime.molar_internal_energy()RKprime.molar_heat_capacity_v()RKprime.molar_heat_capacity_p()RKprime.thermal_expansivity()RKprime.grueneisen_parameter()RKprime.validate_parameters()RKprime.density()RKprime.enthalpy()RKprime.helmholtz_free_energy()
- Stixrude and Lithgow-Bertelloni Formulation
- Base class
SLBBaseSLBBase.volume_dependent_q()SLBBase.volume()SLBBase.pressure()SLBBase.grueneisen_parameter()SLBBase.isothermal_bulk_modulus()SLBBase.adiabatic_bulk_modulus()SLBBase.shear_modulus()SLBBase.molar_heat_capacity_v()SLBBase.molar_heat_capacity_p()SLBBase.thermal_expansivity()SLBBase.gibbs_free_energy()SLBBase.molar_internal_energy()SLBBase.entropy()SLBBase.enthalpy()SLBBase.helmholtz_free_energy()SLBBase.validate_parameters()SLBBase.density()
- SLB2
SLB2SLB2.adiabatic_bulk_modulus()SLB2.density()SLB2.enthalpy()SLB2.entropy()SLB2.gibbs_free_energy()SLB2.grueneisen_parameter()SLB2.helmholtz_free_energy()SLB2.isothermal_bulk_modulus()SLB2.molar_heat_capacity_p()SLB2.molar_heat_capacity_v()SLB2.molar_internal_energy()SLB2.pressure()SLB2.shear_modulus()SLB2.thermal_expansivity()SLB2.validate_parameters()SLB2.volume()SLB2.volume_dependent_q()
- SLB3
SLB3SLB3.adiabatic_bulk_modulus()SLB3.density()SLB3.enthalpy()SLB3.entropy()SLB3.gibbs_free_energy()SLB3.grueneisen_parameter()SLB3.helmholtz_free_energy()SLB3.isothermal_bulk_modulus()SLB3.molar_heat_capacity_p()SLB3.molar_heat_capacity_v()SLB3.molar_internal_energy()SLB3.pressure()SLB3.shear_modulus()SLB3.thermal_expansivity()SLB3.validate_parameters()SLB3.volume()SLB3.volume_dependent_q()
- Base class
- Mie-Grüneisen-Debye
- Base class
MGDBaseMGDBase.grueneisen_parameter()MGDBase.volume()MGDBase.isothermal_bulk_modulus()MGDBase.shear_modulus()MGDBase.molar_heat_capacity_v()MGDBase.thermal_expansivity()MGDBase.molar_heat_capacity_p()MGDBase.adiabatic_bulk_modulus()MGDBase.pressure()MGDBase.gibbs_free_energy()MGDBase.molar_internal_energy()MGDBase.entropy()MGDBase.enthalpy()MGDBase.helmholtz_free_energy()MGDBase.validate_parameters()MGDBase.density()
- MGD2
MGD2MGD2.adiabatic_bulk_modulus()MGD2.density()MGD2.enthalpy()MGD2.entropy()MGD2.gibbs_free_energy()MGD2.grueneisen_parameter()MGD2.helmholtz_free_energy()MGD2.isothermal_bulk_modulus()MGD2.molar_heat_capacity_p()MGD2.molar_heat_capacity_v()MGD2.molar_internal_energy()MGD2.pressure()MGD2.shear_modulus()MGD2.thermal_expansivity()MGD2.validate_parameters()MGD2.volume()
- MGD3
MGD3MGD3.adiabatic_bulk_modulus()MGD3.density()MGD3.enthalpy()MGD3.entropy()MGD3.gibbs_free_energy()MGD3.grueneisen_parameter()MGD3.helmholtz_free_energy()MGD3.isothermal_bulk_modulus()MGD3.molar_heat_capacity_p()MGD3.molar_heat_capacity_v()MGD3.molar_internal_energy()MGD3.pressure()MGD3.shear_modulus()MGD3.thermal_expansivity()MGD3.validate_parameters()MGD3.volume()
- Base class
- Modified Tait
MTMT.volume()MT.pressure()MT.isothermal_bulk_modulus()MT.adiabatic_bulk_modulus()MT.shear_modulus()MT.entropy()MT.molar_internal_energy()MT.gibbs_free_energy()MT.molar_heat_capacity_v()MT.molar_heat_capacity_p()MT.thermal_expansivity()MT.grueneisen_parameter()MT.validate_parameters()MT.density()MT.enthalpy()MT.helmholtz_free_energy()
- Holland and Powell Formulations
- HP_TMT (2011 solid formulation)
HP_TMTHP_TMT.volume()HP_TMT.pressure()HP_TMT.grueneisen_parameter()HP_TMT.isothermal_bulk_modulus()HP_TMT.shear_modulus()HP_TMT.molar_heat_capacity_v()HP_TMT.thermal_expansivity()HP_TMT.molar_heat_capacity_p0()HP_TMT.molar_heat_capacity_p_einstein()HP_TMT.adiabatic_bulk_modulus()HP_TMT.gibbs_free_energy()HP_TMT.helmholtz_free_energy()HP_TMT.entropy()HP_TMT.enthalpy()HP_TMT.molar_heat_capacity_p()HP_TMT.validate_parameters()HP_TMT.density()HP_TMT.molar_internal_energy()
- HP_TMTL (2011 liquid formulation)
HP_TMTLHP_TMTL.volume()HP_TMTL.pressure()HP_TMTL.grueneisen_parameter()HP_TMTL.isothermal_bulk_modulus()HP_TMTL.shear_modulus()HP_TMTL.molar_heat_capacity_v()HP_TMTL.thermal_expansivity()HP_TMTL.molar_heat_capacity_p0()HP_TMTL.adiabatic_bulk_modulus()HP_TMTL.gibbs_free_energy()HP_TMTL.helmholtz_free_energy()HP_TMTL.entropy()HP_TMTL.enthalpy()HP_TMTL.molar_heat_capacity_p()HP_TMTL.validate_parameters()HP_TMTL.density()HP_TMTL.molar_internal_energy()
- HP98 (1998 formulation)
HP98HP98.volume()HP98.pressure()HP98.grueneisen_parameter()HP98.isothermal_bulk_modulus()HP98.shear_modulus()HP98.molar_heat_capacity_v()HP98.thermal_expansivity()HP98.molar_heat_capacity_p0()HP98.adiabatic_bulk_modulus()HP98.gibbs_free_energy()HP98.helmholtz_free_energy()HP98.entropy()HP98.enthalpy()HP98.molar_heat_capacity_p()HP98.validate_parameters()HP98.density()HP98.molar_internal_energy()
- HP_TMT (2011 solid formulation)
- De Koker Solid and Liquid Formulations
- DKS_S (Solid formulation)
DKS_SDKS_S.volume_dependent_q()DKS_S.volume()DKS_S.pressure()DKS_S.grueneisen_parameter()DKS_S.isothermal_bulk_modulus()DKS_S.adiabatic_bulk_modulus()DKS_S.shear_modulus()DKS_S.molar_heat_capacity_v()DKS_S.molar_heat_capacity_p()DKS_S.thermal_expansivity()DKS_S.gibbs_free_energy()DKS_S.molar_internal_energy()DKS_S.entropy()DKS_S.enthalpy()DKS_S.helmholtz_free_energy()DKS_S.validate_parameters()DKS_S.density()
- DKS_L (Liquid formulation)
DKS_LDKS_L.pressure()DKS_L.volume()DKS_L.isothermal_bulk_modulus()DKS_L.adiabatic_bulk_modulus()DKS_L.grueneisen_parameter()DKS_L.shear_modulus()DKS_L.molar_heat_capacity_v()DKS_L.molar_heat_capacity_p()DKS_L.thermal_expansivity()DKS_L.gibbs_free_energy()DKS_L.entropy()DKS_L.enthalpy()DKS_L.helmholtz_free_energy()DKS_L.molar_internal_energy()DKS_L.validate_parameters()DKS_L.density()
- DKS_S (Solid formulation)
- Anderson and Ahrens (1994)
AAAA.volume_dependent_q()AA.volume()AA.pressure()AA.grueneisen_parameter()AA.isothermal_bulk_modulus()AA.adiabatic_bulk_modulus()AA.shear_modulus()AA.molar_heat_capacity_v()AA.molar_heat_capacity_p()AA.thermal_expansivity()AA.gibbs_free_energy()AA.molar_internal_energy()AA.entropy()AA.enthalpy()AA.helmholtz_free_energy()AA.validate_parameters()AA.density()
- CoRK
CORKCORK.grueneisen_parameter()CORK.volume()CORK.isothermal_bulk_modulus()CORK.shear_modulus()CORK.molar_heat_capacity_v()CORK.thermal_expansivity()CORK.molar_heat_capacity_p0()CORK.molar_heat_capacity_p()CORK.adiabatic_bulk_modulus()CORK.gibbs_free_energy()CORK.pressure()CORK.validate_parameters()CORK.density()CORK.enthalpy()CORK.entropy()CORK.helmholtz_free_energy()CORK.molar_internal_energy()
- Brosh et al. (2007)
BroshCalphadBroshCalphad.volume()BroshCalphad.pressure()BroshCalphad.isothermal_bulk_modulus()BroshCalphad.adiabatic_bulk_modulus()BroshCalphad.shear_modulus()BroshCalphad.molar_internal_energy()BroshCalphad.gibbs_free_energy()BroshCalphad.entropy()BroshCalphad.molar_heat_capacity_p()BroshCalphad.thermal_expansivity()BroshCalphad.grueneisen_parameter()BroshCalphad.calculate_transformed_parameters()BroshCalphad.validate_parameters()BroshCalphad.density()BroshCalphad.enthalpy()BroshCalphad.helmholtz_free_energy()BroshCalphad.molar_heat_capacity_v()
- Base class
- Solution models
- Base classes
ElasticSolutionModelElasticSolutionModel.excess_helmholtz_energy()ElasticSolutionModel.excess_pressure()ElasticSolutionModel.excess_entropy()ElasticSolutionModel.excess_enthalpy()ElasticSolutionModel.excess_partial_helmholtz_energies()ElasticSolutionModel.excess_partial_entropies()ElasticSolutionModel.excess_partial_pressures()
- Mechanical solution
MechanicalSolutionMechanicalSolution.excess_gibbs_free_energy()MechanicalSolution.excess_volume()MechanicalSolution.excess_entropy()MechanicalSolution.excess_enthalpy()MechanicalSolution.excess_partial_gibbs_free_energies()MechanicalSolution.excess_partial_volumes()MechanicalSolution.excess_partial_entropies()MechanicalSolution.activity_coefficients()MechanicalSolution.activities()MechanicalSolution.Cp_excess()MechanicalSolution.VoverKT_excess()MechanicalSolution.alphaV_excess()
ElasticMechanicalSolutionElasticMechanicalSolution.excess_helmholtz_energy()ElasticMechanicalSolution.excess_pressure()ElasticMechanicalSolution.excess_entropy()ElasticMechanicalSolution.excess_partial_helmholtz_energies()ElasticMechanicalSolution.excess_partial_pressures()ElasticMechanicalSolution.excess_partial_entropies()ElasticMechanicalSolution.excess_enthalpy()
- Ideal solution
IdealSolutionIdealSolution.excess_partial_gibbs_free_energies()IdealSolution.excess_partial_entropies()IdealSolution.excess_partial_volumes()IdealSolution.gibbs_hessian()IdealSolution.entropy_hessian()IdealSolution.volume_hessian()IdealSolution.activity_coefficients()IdealSolution.activities()IdealSolution.Cp_excess()IdealSolution.VoverKT_excess()IdealSolution.alphaV_excess()IdealSolution.excess_enthalpy()IdealSolution.excess_entropy()IdealSolution.excess_gibbs_free_energy()IdealSolution.excess_volume()
ElasticIdealSolutionElasticIdealSolution.excess_partial_helmholtz_energies()ElasticIdealSolution.excess_partial_entropies()ElasticIdealSolution.excess_partial_pressures()ElasticIdealSolution.helmholtz_hessian()ElasticIdealSolution.entropy_hessian()ElasticIdealSolution.pressure_hessian()ElasticIdealSolution.excess_enthalpy()ElasticIdealSolution.excess_entropy()ElasticIdealSolution.excess_helmholtz_energy()ElasticIdealSolution.excess_pressure()
- Asymmetric regular solution
AsymmetricRegularSolutionAsymmetricRegularSolution.excess_partial_gibbs_free_energies()AsymmetricRegularSolution.excess_partial_entropies()AsymmetricRegularSolution.excess_partial_volumes()AsymmetricRegularSolution.gibbs_hessian()AsymmetricRegularSolution.entropy_hessian()AsymmetricRegularSolution.volume_hessian()AsymmetricRegularSolution.activity_coefficients()AsymmetricRegularSolution.activities()AsymmetricRegularSolution.Cp_excess()AsymmetricRegularSolution.VoverKT_excess()AsymmetricRegularSolution.alphaV_excess()AsymmetricRegularSolution.excess_enthalpy()AsymmetricRegularSolution.excess_entropy()AsymmetricRegularSolution.excess_gibbs_free_energy()AsymmetricRegularSolution.excess_volume()
ElasticAsymmetricRegularSolutionElasticAsymmetricRegularSolution.excess_partial_helmholtz_energies()ElasticAsymmetricRegularSolution.excess_partial_entropies()ElasticAsymmetricRegularSolution.excess_partial_pressures()ElasticAsymmetricRegularSolution.helmholtz_hessian()ElasticAsymmetricRegularSolution.entropy_hessian()ElasticAsymmetricRegularSolution.pressure_hessian()ElasticAsymmetricRegularSolution.excess_enthalpy()ElasticAsymmetricRegularSolution.excess_entropy()ElasticAsymmetricRegularSolution.excess_helmholtz_energy()ElasticAsymmetricRegularSolution.excess_pressure()
- Symmetric regular solution
SymmetricRegularSolutionSymmetricRegularSolution.Cp_excess()SymmetricRegularSolution.VoverKT_excess()SymmetricRegularSolution.activities()SymmetricRegularSolution.activity_coefficients()SymmetricRegularSolution.alphaV_excess()SymmetricRegularSolution.entropy_hessian()SymmetricRegularSolution.excess_enthalpy()SymmetricRegularSolution.excess_entropy()SymmetricRegularSolution.excess_gibbs_free_energy()SymmetricRegularSolution.excess_partial_entropies()SymmetricRegularSolution.excess_partial_gibbs_free_energies()SymmetricRegularSolution.excess_partial_volumes()SymmetricRegularSolution.excess_volume()SymmetricRegularSolution.gibbs_hessian()SymmetricRegularSolution.volume_hessian()
ElasticSymmetricRegularSolutionElasticSymmetricRegularSolution.entropy_hessian()ElasticSymmetricRegularSolution.excess_enthalpy()ElasticSymmetricRegularSolution.excess_entropy()ElasticSymmetricRegularSolution.excess_helmholtz_energy()ElasticSymmetricRegularSolution.excess_partial_entropies()ElasticSymmetricRegularSolution.excess_partial_helmholtz_energies()ElasticSymmetricRegularSolution.excess_partial_pressures()ElasticSymmetricRegularSolution.excess_pressure()ElasticSymmetricRegularSolution.helmholtz_hessian()ElasticSymmetricRegularSolution.pressure_hessian()
- Subregular solution
SubregularSolutionSubregularSolution.excess_partial_gibbs_free_energies()SubregularSolution.excess_partial_entropies()SubregularSolution.excess_partial_volumes()SubregularSolution.gibbs_hessian()SubregularSolution.entropy_hessian()SubregularSolution.volume_hessian()SubregularSolution.activity_coefficients()SubregularSolution.activities()SubregularSolution.Cp_excess()SubregularSolution.VoverKT_excess()SubregularSolution.alphaV_excess()SubregularSolution.excess_enthalpy()SubregularSolution.excess_entropy()SubregularSolution.excess_gibbs_free_energy()SubregularSolution.excess_volume()
ElasticSubregularSolutionElasticSubregularSolution.excess_partial_helmholtz_energies()ElasticSubregularSolution.excess_partial_entropies()ElasticSubregularSolution.excess_partial_pressures()ElasticSubregularSolution.helmholtz_hessian()ElasticSubregularSolution.entropy_hessian()ElasticSubregularSolution.pressure_hessian()ElasticSubregularSolution.excess_enthalpy()ElasticSubregularSolution.excess_entropy()ElasticSubregularSolution.excess_helmholtz_energy()ElasticSubregularSolution.excess_pressure()
- Function solution
FunctionSolutionFunctionSolution.excess_partial_volumes()FunctionSolution.volume_hessian()FunctionSolution.excess_partial_gibbs_free_energies()FunctionSolution.excess_partial_entropies()FunctionSolution.gibbs_hessian()FunctionSolution.entropy_hessian()FunctionSolution.activity_coefficients()FunctionSolution.activities()FunctionSolution.Cp_excess()FunctionSolution.VoverKT_excess()FunctionSolution.alphaV_excess()FunctionSolution.excess_enthalpy()FunctionSolution.excess_entropy()FunctionSolution.excess_gibbs_free_energy()FunctionSolution.excess_volume()
ElasticFunctionSolutionElasticFunctionSolution.excess_partial_pressures()ElasticFunctionSolution.pressure_hessian()ElasticFunctionSolution.excess_partial_helmholtz_energies()ElasticFunctionSolution.excess_partial_entropies()ElasticFunctionSolution.excess_enthalpy()ElasticFunctionSolution.excess_entropy()ElasticFunctionSolution.excess_helmholtz_energy()ElasticFunctionSolution.excess_pressure()ElasticFunctionSolution.helmholtz_hessian()ElasticFunctionSolution.entropy_hessian()
- Base classes
- Solution tools
- Compositions
- Polytopes
- Base class
MaterialPolytopeMaterialPolytope.set_return_type()MaterialPolytope.raw_verticesMaterialPolytope.limitsMaterialPolytope.n_endmembersMaterialPolytope.endmember_occupanciesMaterialPolytope.independent_endmember_occupanciesMaterialPolytope.endmembers_as_independent_endmember_amountsMaterialPolytope.independent_endmember_polytopeMaterialPolytope.independent_endmember_limitsMaterialPolytope.subpolytope_from_independent_endmember_limits()MaterialPolytope.subpolytope_from_site_occupancy_limits()MaterialPolytope.grid()
- Polytope tools
- Base class
- Averaging Schemes
- Geotherms
- Layers and Planets
- Layer
LayerLayer.reset()Layer.set_material()Layer.set_temperature_mode()Layer.set_pressure_mode()Layer.make()Layer.evaluate()Layer.massLayer.moment_of_inertiaLayer.gravityLayer.bullenLayer.brunt_vasalaLayer.pressureLayer.temperatureLayer.molar_internal_energyLayer.molar_gibbsLayer.molar_helmholtzLayer.molar_massLayer.molar_volumeLayer.densityLayer.molar_entropyLayer.molar_enthalpyLayer.isothermal_bulk_modulusLayer.adiabatic_bulk_modulusLayer.isothermal_compressibilityLayer.adiabatic_compressibilityLayer.shear_modulusLayer.p_wave_velocityLayer.bulk_sound_velocityLayer.shear_wave_velocityLayer.grueneisen_parameterLayer.thermal_expansivityLayer.molar_heat_capacity_vLayer.molar_heat_capacity_pLayer.PLayer.TLayer.energyLayer.helmholtzLayer.gibbsLayer.VLayer.rhoLayer.SLayer.HLayer.K_TLayer.K_SLayer.beta_TLayer.beta_SLayer.GLayer.v_pLayer.v_phiLayer.v_sLayer.grLayer.alphaLayer.C_vLayer.C_p
BoundaryLayerPerturbation
- Planet
PlanetPlanet.reset()Planet.get_layer()Planet.get_layer_by_radius()Planet.evaluate()Planet.set_pressure_mode()Planet.make()Planet.massPlanet.average_densityPlanet.moment_of_inertiaPlanet.moment_of_inertia_factorPlanet.depthPlanet.gravityPlanet.bullenPlanet.brunt_vasalaPlanet.pressurePlanet.temperaturePlanet.molar_internal_energyPlanet.molar_gibbsPlanet.molar_helmholtzPlanet.molar_massPlanet.molar_volumePlanet.densityPlanet.molar_entropyPlanet.molar_enthalpyPlanet.isothermal_bulk_modulusPlanet.adiabatic_bulk_modulusPlanet.isothermal_compressibilityPlanet.adiabatic_compressibilityPlanet.shear_modulusPlanet.p_wave_velocityPlanet.bulk_sound_velocityPlanet.shear_wave_velocityPlanet.grueneisen_parameterPlanet.thermal_expansivityPlanet.molar_heat_capacity_vPlanet.molar_heat_capacity_pPlanet.PPlanet.TPlanet.energyPlanet.helmholtzPlanet.gibbsPlanet.VPlanet.rhoPlanet.SPlanet.HPlanet.K_TPlanet.K_SPlanet.beta_TPlanet.beta_SPlanet.GPlanet.v_pPlanet.v_phiPlanet.v_sPlanet.grPlanet.alphaPlanet.C_vPlanet.C_p
- Layer
- Thermodynamics
- Lattice Vibrations
- Chemistry parsing and thermodynamics
read_masses()atomic_massesdictionarize_formula()sum_formulae()formula_mass()convert_formula()process_solution_chemistry()site_occupancies_to_strings()compositional_array()ordered_compositional_array()formula_to_string()sort_element_list_to_IUPAC_order()convert_fractions()reaction_matrix_as_strings()fugacity()relative_fugacity()equilibrium_pressure()equilibrium_temperature()invariant_point()hugoniot()reactions_from_stoichiometric_matrix()reactions_from_formulae()
- Equilibrium Thermodynamics
- Seismic
- Base class for all seismic models
Seismic1DModelSeismic1DModel.evaluate()Seismic1DModel.internal_depth_list()Seismic1DModel.pressure()Seismic1DModel.v_p()Seismic1DModel.v_s()Seismic1DModel.v_phi()Seismic1DModel.density()Seismic1DModel.G()Seismic1DModel.K()Seismic1DModel.QK()Seismic1DModel.QG()Seismic1DModel.depth()Seismic1DModel.gravity()
- Class for 1D Models
SeismicTableSeismicTable.internal_depth_list()SeismicTable.pressure()SeismicTable.gravity()SeismicTable.v_p()SeismicTable.v_s()SeismicTable.QK()SeismicTable.QG()SeismicTable.density()SeismicTable.bullen()SeismicTable.depth()SeismicTable.radius()SeismicTable.G()SeismicTable.K()SeismicTable.evaluate()SeismicTable.v_phi()
- Models currently implemented
- Attenuation Correction
- Base class for all seismic models
- Mineral databases
- Matas_etal_2007
mg_perovskitefe_perovskiteal_perovskiteca_perovskitepericlasewuestiteca_bridgmanitemg_bridgmanitefe_bridgmaniteal_bridgmanite- Murakami_etal_2012
mg_perovskitemg_perovskite_3rdorderfe_perovskitemg_periclasefe_periclasefe_periclase_3rdfe_periclase_HSfe_periclase_LSfe_periclase_HS_3rdfe_periclase_LS_3rdmg_bridgmanitefe_bridgmanitemg_bridgmanite_3rdorder- Murakami_2013
periclasewuestitemg_perovskitefe_perovskitemg_bridgmanitefe_bridgmanite- SLB_2005
stishovitepericlasewuestitemg_perovskitefe_perovskitemg_bridgmanitefe_bridgmanite- SLB_2011
c2c_pyroxeneca_ferrite_structured_phaseclinopyroxenegarnetakimotoiteferropericlasemg_fe_olivineorthopyroxeneplagioclasepost_perovskitemg_fe_perovskitemg_fe_ringwooditemg_fe_aluminous_spinelmg_fe_wadsleyiteanorthitealbitespinelhercyniteforsteritefayalitemg_wadsleyitefe_wadsleyitemg_ringwooditefe_ringwooditeenstatiteferrosilitemg_tschermaksortho_diopsidediopsidehedenbergiteclinoenstatiteca_tschermaksjadeitehp_clinoenstatitehp_clinoferrosiliteca_perovskitemg_akimotoitefe_akimotoitecorundumpyropealmandinegrossularmg_majoritejd_majoritequartzcoesitestishoviteseifertitemg_perovskitefe_perovskiteal_perovskitemg_post_perovskitefe_post_perovskiteal_post_perovskitepericlasewuestitemg_ca_ferritefe_ca_ferritena_ca_ferritekyanitenephelineabansphcfofamgwafewamgriferienfsmgtsodidihecencatsjdmgc2fec2hpcenhpcfsmgpvmg_bridgmanitefepvfe_bridgmanitealpvcapvmgilfeilcopyalgrmgmjjdmjqtzcoesstseifmppvfppvappvpewumgcffecfnacfkynephc2ccfcpxgtililmenite_groupmwmagnesiowuestiteolopxplagppvpvmg_fe_bridgmanitemg_fe_silicate_perovskiterispinel_groupwaspinelloid_IIIabalalpvananaoapboappvcapvcatscencocoescrstdienfafapvfec2fecffeilfepvferifewaflpvfnalfofppvfsgrhchehemhepvhlpvhmaghppvjdkylppvmagmgc2mgcfmgilmgmjmgpvmgrimgtsmgwamnalmppvnacfnamjnephnnalodipepyqtzspstwuwulsc2c_pyroxenecalcium_ferrite_structured_phaseclinopyroxenegarnetilmeniteferropericlasenew_aluminous_phaseolivineorthopyroxeneplagioclasepost_perovskitebridgmaniteringwooditemg_fe_aluminous_spinelwadsleyitealbitealmandineal_perovskiteanorthitealpha_nao2_phasealpha_pbo_2_sio_2al_post_perovskiteca_perovskitelime_tschermakclinoenstatitecorundumcoesitecristobalitediopsideenstatitefayalitefealo3_perovskite_hshp_clinoferrosilitefe_ca_ferritefe_akimotoitefe_perovskitefe_ringwooditefe_wadsleyitefe_perovskite_low_spinfe_nal_phaseforsteritefe_postperovskiteferrosilitegrossularhercynitehedenbergitehematitefe2o3_perovskite_hsfe2o3_perovskite_lshigh_pressure_magnetiths_fe2o3_post_perovskijadeitekyanitels_fe2o3_post_perovskimagnetitehp_clinoenstatitemg_ca_ferritemg_akimotoitemg_majoritemg_perovskitemg_ringwooditemg_tschermaksmg_wadsleyitemg_nal_phasemg_postperovskitena_ca_ferritena_majoritenephelinena_nal_phaseortho_diopsidepericlasepyropequartzspinelstishovitewustitewustite_low_spinc2ccfcpxgtilmwnalolopxplgppvpvriwa- SLB_2011_ZSB_2013
stishovitepericlasewuestitemg_perovskitefe_perovskitemg_bridgmanitefe_bridgmanite- DKS_2013_solids
stishoviteperovskitepericlase- DKS_2013_liquids
vector_to_array()SiO2_liquidMgSiO3_liquidMgSi2O5_liquidMgSi3O7_liquidMgSi5O11_liquidMg2SiO4_liquidMg3Si2O7_liquidMg5SiO7_liquidMgO_liquid- RS_2014_liquids
Fe2SiO4_liquid- HP_2011_ds62
fofatephlrnmontchumchdrmwdfwdmrwfrwmpvfpvapvcpvmakfakmajpyalmspssgrandrknorosmaosmmosfavsvandalusitekysillsmulamultpzmstfstmnstmctdfctdmnctdmerwspuzoczepfeppmtlawmpmfpmjgdgehakrnktycrdhcrdfcrdmncrdphAsphcstnzrcenprencenhenfsmgtsdihedjdacmkoscatscaesrhodpxmnwopswowaltrfacttspargglfglriebanthfanthcummgrungedspr4spr5fsprmcarfcardeermucelfcelpamaphlannmnbieastnaphclinamesafchldaphmnchlsudfsudprltaftatatstapminnminmkaoprefprechrlizgltfstpmstpatgababhmicsanankcmwaholqtrdcrstcoestvnecgcghsdlklslcmewrklmtheustlbanllimeruperfpermangcormcorhemeskbixNiOpntgeikilmbdytencupsphercmtmftusppicrbrdspgthccaragmagsidrhcdolanksyvhltpyrtrottrolottrovanyironNiCugphdiamSsyvLhltLperLlimLcorLqLh2oLfoLfaLwoLenLdiLsilLanLkspLabLneLlcLcov()- HP_2011_fluids
CO2CH4O2H2S2H2S- HHPH_2013
fofamwdfwdmrwfrwmpvfpvapvnpvcpvmakfakmajnagtpyalmgrencenhenhfsfsmgtsdihedjdcatsstvmacfmscffscfnacfcacfmanalnanalmsnalfsnalcanalperfpercormcor- HGP_2018_ds633
fofatephlrnmontchumchdrmwdfwdmrwfrwmpvfpvapvnpvppvcpvmakfakmajnagtpyalmspssgrandrskiknoruvosmaosmmosfavsvandalusitekysillsmulamultpzmstfstmnstmctdfctdmnctdmerwspuzoczepfeppmtlawmpmfpmjgdgehakrnktycrdhcrdfcrdmncrdphAphDphEshBsphcstnzrczrttcnenprencenhenhfsfsmgtsdihedjdkjdacmkoscatscaesrhodpxmnwopswowaltrfacttspargglfglnybriebanthfanthcummgrungedspr4spr5fsprmcarfcardeermucelfcelpamaphlannmnbieastnaphtanclinamesafchldaphmnchlsudfsudprltaftatatstapntaminnminmkaoprefprechrlizgltfstpmstpatgababhmicsanankcmwaholqtrdcrstcoestvnecgcghmacfmscffscfnacfcacfmanalnanalmsnalfsnalcanalsdlklslcmewrklmtheustlbanllimeruperfperwumangcormcorhemeskbixNiOpntgeikilmbdybdyTbdyCtencupsphercmtmftqndusppicrbrdspgthccaragmagsidrhcdolanksyvhltpyrtrottrolottrovanyironNiCugphdiamSsyvLhltLperLlimLcorLeskLhemLqLh2oLfoLfaLwoLenLdiLsilLanLkspLabLneLlcLruLbdyLcov()make_melt_class()silicate_meltCMS_meltMS_melt- JH_2015
ferropericlaseplagioclaseclinopyroxenecfscrdicesscencfmolivinespinelgarnetorthopyroxenefmodicrenmessconstruct_combined_covariance()cov()- Saxena and Eriksson (2015)
bcc_ironfcc_ironhcp_ironliquid_iron- Other minerals
liquid_ironZSB_2013_mg_perovskiteZSB_2013_fe_perovskiteSpeziale_fe_periclaseSpeziale_fe_periclase_HSSpeziale_fe_periclase_LSLiquid_Fe_AndersonFe_Dewaele
- Calibrant databases
- Optimization
DummyCompositionSolutionDummyCompositionSolution.endmember_formulaeDummyCompositionSolution.C_pDummyCompositionSolution.C_vDummyCompositionSolution.GDummyCompositionSolution.HDummyCompositionSolution.K_SDummyCompositionSolution.K_TDummyCompositionSolution.PDummyCompositionSolution.SDummyCompositionSolution.TDummyCompositionSolution.VDummyCompositionSolution.activitiesDummyCompositionSolution.activity_coefficientsDummyCompositionSolution.adiabatic_bulk_modulusDummyCompositionSolution.adiabatic_bulk_modulus_reussDummyCompositionSolution.adiabatic_compressibilityDummyCompositionSolution.adiabatic_compressibility_reussDummyCompositionSolution.alphaDummyCompositionSolution.beta_SDummyCompositionSolution.beta_TDummyCompositionSolution.bulk_sound_velocityDummyCompositionSolution.compositional_null_basisDummyCompositionSolution.copy()DummyCompositionSolution.debug_print()DummyCompositionSolution.densityDummyCompositionSolution.dependent_element_indicesDummyCompositionSolution.elementsDummyCompositionSolution.endmember_namesDummyCompositionSolution.endmembersDummyCompositionSolution.energyDummyCompositionSolution.entropy_hessianDummyCompositionSolution.evaluate()DummyCompositionSolution.excess_enthalpyDummyCompositionSolution.excess_entropyDummyCompositionSolution.excess_gibbsDummyCompositionSolution.excess_partial_entropiesDummyCompositionSolution.excess_partial_gibbsDummyCompositionSolution.excess_partial_volumesDummyCompositionSolution.excess_volumeDummyCompositionSolution.formulaDummyCompositionSolution.gibbsDummyCompositionSolution.gibbs_hessianDummyCompositionSolution.grDummyCompositionSolution.grueneisen_parameterDummyCompositionSolution.helmholtzDummyCompositionSolution.independent_element_indicesDummyCompositionSolution.isothermal_bulk_modulusDummyCompositionSolution.isothermal_bulk_modulus_reussDummyCompositionSolution.isothermal_compressibilityDummyCompositionSolution.isothermal_compressibility_reussDummyCompositionSolution.molar_enthalpyDummyCompositionSolution.molar_entropyDummyCompositionSolution.molar_gibbsDummyCompositionSolution.molar_heat_capacity_pDummyCompositionSolution.molar_heat_capacity_vDummyCompositionSolution.molar_helmholtzDummyCompositionSolution.molar_internal_energyDummyCompositionSolution.molar_massDummyCompositionSolution.molar_volumeDummyCompositionSolution.n_endmembersDummyCompositionSolution.n_reactionsDummyCompositionSolution.nameDummyCompositionSolution.p_wave_velocityDummyCompositionSolution.partial_entropiesDummyCompositionSolution.partial_gibbsDummyCompositionSolution.partial_volumesDummyCompositionSolution.pressureDummyCompositionSolution.print_minerals_of_current_state()DummyCompositionSolution.reaction_basisDummyCompositionSolution.reset()DummyCompositionSolution.rhoDummyCompositionSolution.set_composition()DummyCompositionSolution.set_method()DummyCompositionSolution.set_state()DummyCompositionSolution.set_state_with_volume()DummyCompositionSolution.shear_modulusDummyCompositionSolution.shear_wave_velocityDummyCompositionSolution.site_formula()DummyCompositionSolution.site_occupanciesDummyCompositionSolution.stoichiometric_arrayDummyCompositionSolution.stoichiometric_matrixDummyCompositionSolution.temperatureDummyCompositionSolution.thermal_expansivityDummyCompositionSolution.to_string()DummyCompositionSolution.unroll()DummyCompositionSolution.v_pDummyCompositionSolution.v_phiDummyCompositionSolution.v_sDummyCompositionSolution.volume_hessian
fit_composition_to_solution()fit_phase_proportions_to_bulk_composition()MineralFitfit_PTp_data()fit_PTV_data()SolutionFitfit_XPTp_data()weighted_constrained_least_squares()nonlinear_least_squares_fit()confidence_prediction_bands()abs_line_project()plot_cov_ellipse()corner_plot()weighted_residual_plot()extreme_values()plot_residuals()solve_constraint_lagrangian()damped_newton_solve()
- Utilities
- Unit cell
- Mathematical
- Miscellaneous
OrderedCounterOrderedCounter.clear()OrderedCounter.copy()OrderedCounter.elements()OrderedCounter.fromkeys()OrderedCounter.get()OrderedCounter.items()OrderedCounter.keys()OrderedCounter.most_common()OrderedCounter.move_to_end()OrderedCounter.pop()OrderedCounter.popitem()OrderedCounter.setdefault()OrderedCounter.subtract()OrderedCounter.total()OrderedCounter.update()OrderedCounter.values()
copy_documentation()merge_two_dicts()flatten()pretty_print_values()pretty_print_table()sort_table()read_table()array_from_file()cut_table()lookup_and_interpolate()attribute_function()
- Tools