Index

Symbols

**kwargs (flory.shortcut.find_coexisting_phases parameter), [1]

_

_compiled_impl() (CanonicalEnsemble method) (ConstraintBase method) (EnsembleBase method) (EntropyBase method) (FloryHugginsBlockInteraction method) (FloryHugginsInteraction method) (FloryHugginsInteractionBase method) (GrandCanonicalEnsemble method) (IdealGasEntropy method) (IdealGasEntropyBase method) (IdealGasPolydispersedEntropy method) (InteractionBase method) (LinearGlobalConstraint method) (LinearLocalConstraint method) (NoConstraint method) _copy() (Phases method) (PhasesResult method) _energy_impl() (EntropyBase method) (FloryHuggins method) (FloryHugginsBlockInteraction method) (FloryHugginsInteraction method) (FloryHugginsInteractionBase method) (FreeEnergyBase method) (IdealGasEntropy method) (IdealGasEntropyBase method) (IdealGasPolydispersedEntropy method) (InteractionBase method)

_hessian_impl() (EntropyBase method) (FloryHuggins method) (FloryHugginsBlockInteraction method) (FloryHugginsInteraction method) (FloryHugginsInteractionBase method) (FreeEnergyBase method) (IdealGasEntropy method) (IdealGasEntropyBase method) (IdealGasPolydispersedEntropy method) (InteractionBase method) _jacobian_fractions_impl() (FloryHuggins method) (FreeEnergyBase method) (IdealGasEntropy method) (IdealGasEntropyBase method) (IdealGasPolydispersedEntropy method) _jacobian_impl() (EntropyBase method) (FloryHuggins method) (FloryHugginsBlockInteraction method) (FloryHugginsInteraction method) (FloryHugginsInteractionBase method) (FreeEnergyBase method) (IdealGasEntropy method) (IdealGasEntropyBase method) (IdealGasPolydispersedEntropy method) (InteractionBase method)

A

acceptance_Js (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] acceptance_omega (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] acceptance_ratio (flory.constraint.linear_global.LinearGlobalConstraintCompiled parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled parameter), [1] additional_chis_shift (flory.interaction.flory_huggins.FloryHugginsInteraction._compiled_impl parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteractionBase._compiled_impl parameter), [1], [2] (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction._compiled_impl parameter), [1]

arr (flory.common.utilities.convert_and_broadcast parameter), [1] (flory.common.utilities.make_square_blocks parameter), [1] axis (flory.free_energy.base.FreeEnergyBase.check_volume_fractions parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.equilibration_error parameter), [1], [2] (flory.free_energy.flory_huggins.FloryHuggins.check_volume_fractions parameter) (flory.free_energy.flory_huggins.FloryHuggins.equilibration_error parameter)

B

block_sizes (flory.common.utilities.make_square_blocks parameter), [1]

C

CanonicalEnsemble (class in flory.ensemble.canonical) CanonicalEnsembleCompiled (class in flory.ensemble.canonical) check_field() (CoexistingPhasesFinder method) check_instance() (CoexistingPhasesFinder method) check_volume_fractions() (FloryHuggins method) (FreeEnergyBase method) chemical_potentials() (FloryHuggins method) (FreeEnergyBase method) chi (flory.interaction.flory_huggins.FloryHugginsInteraction.from_uniform parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.set_uniform_chis parameter), [1] chi_mean (flory.interaction.flory_huggins.FloryHugginsInteraction.from_random_normal parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.set_random_chis parameter), [1] chi_std (flory.interaction.flory_huggins.FloryHugginsInteraction.from_random_normal parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.set_random_chis parameter), [1] chis (flory.free_energy.flory_huggins.FloryHuggins parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteractionBase parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteractionCompiled parameter), [1] (flory.shortcut.find_coexisting_phases parameter), [1] (FloryHuggins property) (FloryHugginsBlockInteraction property) (FloryHugginsInteraction property) chis_feat (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction parameter), [1] (FloryHugginsBlockInteraction property) chis_shift (flory.interaction.flory_huggins.FloryHugginsInteractionCompiled parameter), [1] CoexistingPhasesFinder (class in flory.mcmp.finder) comp_to_feat() (EntropyBaseCompiled method) (IdealGasEntropyCompiled method) (IdealGasPolydispersedEntropyCompiled method) compiled() (CanonicalEnsemble method) (ConstraintBase method) (EnsembleBase method) (EntropyBase method) (FloryHugginsBlockInteraction method) (FloryHugginsInteraction method) (FloryHugginsInteractionBase method) (GrandCanonicalEnsemble method) (IdealGasEntropy method) (IdealGasEntropyBase method) (IdealGasPolydispersedEntropy method) (InteractionBase method) (LinearGlobalConstraint method) (LinearLocalConstraint method) (NoConstraint method)

compiled_instance (flory.mcmp.finder.CoexistingPhasesFinder.check_instance parameter), [1] ComponentNumberError conserved (flory.free_energy.base.FreeEnergyBase.is_stable parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.num_unstable_modes parameter), [1], [2] (flory.free_energy.flory_huggins.FloryHuggins.is_stable parameter) (flory.free_energy.flory_huggins.FloryHuggins.num_unstable_modes parameter) constraint_acceptance_ratio (flory.constraint.linear_global.LinearGlobalConstraint._compiled_impl parameter), [1] (flory.constraint.linear_local.LinearLocalConstraint._compiled_impl parameter), [1] constraint_elasticity (flory.constraint.linear_global.LinearGlobalConstraint._compiled_impl parameter), [1] (flory.constraint.linear_local.LinearLocalConstraint._compiled_impl parameter), [1] ConstraintBase (class in flory.constraint.base) ConstraintBaseCompiled (class in flory.constraint.base) constraints (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_constraints parameter), [1] convergence_criterion (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] convert_and_broadcast() (in module flory.common.utilities) count_valid_compartments() (in module flory.mcmp._finder_impl) Cs (flory.constraint.linear_global.LinearGlobalConstraint parameter), [1] (flory.constraint.linear_global.LinearGlobalConstraintCompiled parameter), [1] (flory.constraint.linear_local.LinearLocalConstraint parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled parameter), [1] (LinearGlobalConstraint property) (LinearLocalConstraint property)

D

diagnostics (CoexistingPhasesFinder property)

dist (flory.common.phases.Phases.get_clusters parameter), [1] (flory.common.phases.PhasesResult.get_clusters parameter)

E

elasticity (flory.constraint.linear_global.LinearGlobalConstraintCompiled parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled parameter), [1] ensemble (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_ensemble parameter), [1] EnsembleBase (class in flory.ensemble.base) EnsembleBaseCompiled (class in flory.ensemble.base) entropy (flory.free_energy.base.FreeEnergyBase parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_entropy parameter), [1]

entropy_compiled() (FloryHuggins method) (FreeEnergyBase method) EntropyBase (class in flory.entropy.base) EntropyBaseCompiled (class in flory.entropy.base) equilibration_error() (FloryHuggins method) (FreeEnergyBase method) evolve() (ConstraintBaseCompiled method) (LinearGlobalConstraintCompiled method) (LinearLocalConstraintCompiled method) (NoConstraintCompiled method) exchange_chemical_potentials() (FloryHuggins method) (FreeEnergyBase method)

F

FeatureNumberError field (flory.mcmp.finder.CoexistingPhasesFinder.check_field parameter), [1] filter_kwargs() (in module flory.common.utilities) find_coexisting_phases() (in module flory.shortcut) flory module flory.common module flory.common.exceptions module flory.common.math module flory.common.phases module flory.common.utilities module flory.constraint module flory.constraint.base module flory.constraint.linear_global module flory.constraint.linear_local module flory.constraint.no module flory.ensemble module flory.ensemble.base module flory.ensemble.canonical module flory.ensemble.grandcanonical module flory.entropy module flory.entropy.base module flory.entropy.ideal_gas module

flory.entropy.ideal_gas_polydispersed module flory.free_energy module flory.free_energy.base module flory.free_energy.flory_huggins module flory.interaction module flory.interaction.base module flory.interaction.flory_huggins module flory.interaction.flory_huggins_block module flory.mcmp module flory.mcmp._finder_impl module flory.mcmp.finder module flory.shortcut module FloryHuggins (class in flory.free_energy.flory_huggins) FloryHugginsBlockInteraction (class in flory.interaction.flory_huggins_block) FloryHugginsInteraction (class in flory.interaction.flory_huggins) FloryHugginsInteractionBase (class in flory.interaction.flory_huggins) FloryHugginsInteractionCompiled (class in flory.interaction.flory_huggins) fractions (flory.common.phases.Phases parameter), [1] (flory.common.phases.PhasesResult parameter), [1] free_energy_density() (FloryHuggins method) (FreeEnergyBase method) FreeEnergyBase (class in flory.free_energy.base) from_chemical_potential() (GrandCanonicalEnsemble class method) from_phases() (PhasesResult class method) from_random_normal() (FloryHuggins class method) (FloryHugginsInteraction class method) from_uniform() (FloryHuggins class method) (FloryHugginsInteraction class method) func (flory.common.utilities.filter_kwargs parameter), [1]

G

get_clusters() (Phases method) (PhasesResult method)

get_uniform_random_composition() (in module flory.common.phases) GrandCanonicalEnsemble (class in flory.ensemble.grandcanonical) GrandCanonicalEnsembleCompiled (class in flory.ensemble.grandcanonical)

H

hessian() (FloryHuggins method) (FreeEnergyBase method)

I

IdealGasEntropy (class in flory.entropy.ideal_gas) IdealGasEntropyBase (class in flory.entropy.ideal_gas) IdealGasEntropyCompiled (class in flory.entropy.ideal_gas) IdealGasPolydispersedEntropy (class in flory.entropy.ideal_gas_polydispersed) IdealGasPolydispersedEntropyCompiled (class in flory.entropy.ideal_gas_polydispersed) if_reset_revive (flory.mcmp.finder.CoexistingPhasesFinder.set_constraints parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_ensemble parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_entropy parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_interaction parameter), [1] incomp_coef() (FloryHugginsInteractionCompiled method) (InteractionBaseCompiled method) independent_entries (FloryHugginsInteraction property) index (flory.free_energy.base.FreeEnergyBase.exchange_chemical_potentials parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.hessian parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.jacobian parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.pressure parameter), [1], [2] (flory.free_energy.flory_huggins.FloryHuggins.exchange_chemical_potentials parameter) (flory.free_energy.flory_huggins.FloryHuggins.hessian parameter) (flory.free_energy.flory_huggins.FloryHuggins.jacobian parameter) (flory.free_energy.flory_huggins.FloryHuggins.pressure parameter)

info (flory.common.phases.PhasesResult parameter), [1] (flory.common.phases.PhasesResult.from_phases parameter), [1] (PhasesResult property) initialize() (ConstraintBaseCompiled method) (LinearGlobalConstraintCompiled method) (LinearLocalConstraintCompiled method) (NoConstraintCompiled method) interaction (flory.free_energy.base.FreeEnergyBase parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_interaction parameter), [1] interaction_compiled() (FloryHuggins method) (FreeEnergyBase method) InteractionBase (class in flory.interaction.base) InteractionBaseCompiled (class in flory.interaction.base) interval (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.run parameter), [1] is_stable() (FloryHuggins method) (FreeEnergyBase method)

J

jacobian() (FloryHuggins method) (FreeEnergyBase method) Js (flory.constraint.base.ConstraintBaseCompiled.prepare parameter), [1], [2], [3], [4] (flory.constraint.linear_global.LinearGlobalConstraintCompiled.prepare parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled.prepare parameter), [1] (flory.constraint.no.NoConstraintCompiled.prepare parameter), [1] (flory.entropy.base.EntropyBaseCompiled.partition parameter), [1], [2], [3] (flory.entropy.ideal_gas.IdealGasEntropyCompiled.partition parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled.partition parameter), [1] (flory.mcmp._finder_impl.count_valid_compartments parameter), [1] (flory.mcmp._finder_impl.make_valid_compartment_masks parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_copy parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_random parameter), [1]

Js_step_upper_bound (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1]

K

kill_threshold (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] kwargs (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_constraints parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_ensemble parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_entropy parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.set_interaction parameter), [1] kwargs_full (flory.common.utilities.filter_kwargs parameter), [1] (flory.constraint.base.ConstraintBase.compiled parameter), [1], [2], [3], [4] (flory.constraint.linear_global.LinearGlobalConstraint.compiled parameter) (flory.constraint.linear_local.LinearLocalConstraint.compiled parameter) (flory.constraint.no.NoConstraint.compiled parameter) (flory.ensemble.base.EnsembleBase.compiled parameter), [1], [2], [3] (flory.ensemble.canonical.CanonicalEnsemble.compiled parameter) (flory.ensemble.grandcanonical.GrandCanonicalEnsemble.compiled parameter) (flory.entropy.base.EntropyBase.compiled parameter), [1], [2], [3], [4] (flory.entropy.ideal_gas.IdealGasEntropy.compiled parameter) (flory.entropy.ideal_gas.IdealGasEntropyBase.compiled parameter) (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy.compiled parameter) (flory.free_energy.base.FreeEnergyBase.entropy_compiled parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.interaction_compiled parameter), [1], [2] (flory.free_energy.flory_huggins.FloryHuggins.entropy_compiled parameter) (flory.free_energy.flory_huggins.FloryHuggins.interaction_compiled parameter) (flory.interaction.base.InteractionBase.compiled parameter), [1], [2], [3], [4] (flory.interaction.flory_huggins.FloryHugginsInteraction.compiled parameter) (flory.interaction.flory_huggins.FloryHugginsInteractionBase.compiled parameter) (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction.compiled parameter)

kwargs_individual (flory.mcmp.finder.CoexistingPhasesFinder.set_constraints parameter), [1]

L

LinearGlobalConstraint (class in flory.constraint.linear_global) LinearGlobalConstraintCompiled (class in flory.constraint.linear_global)

LinearLocalConstraint (class in flory.constraint.linear_local) LinearLocalConstraintCompiled (class in flory.constraint.linear_local)

M

make_square_blocks() (in module flory.common.utilities) make_valid_compartment_masks() (in module flory.mcmp._finder_impl) masks (flory.constraint.base.ConstraintBaseCompiled.evolve parameter), [1], [2], [3], [4] (flory.constraint.base.ConstraintBaseCompiled.prepare parameter), [1], [2], [3], [4] (flory.constraint.linear_global.LinearGlobalConstraintCompiled.evolve parameter), [1] (flory.constraint.linear_global.LinearGlobalConstraintCompiled.prepare parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled.evolve parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled.prepare parameter), [1] (flory.constraint.no.NoConstraintCompiled.evolve parameter), [1] (flory.constraint.no.NoConstraintCompiled.prepare parameter), [1] (flory.ensemble.base.EnsembleBaseCompiled.normalize parameter), [1], [2], [3] (flory.ensemble.canonical.CanonicalEnsembleCompiled.normalize parameter), [1] (flory.ensemble.grandcanonical.GrandCanonicalEnsembleCompiled.normalize parameter), [1] max_revive_per_compartment (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] max_steps (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.run parameter), [1] mean_fractions (Phases property) (PhasesResult property) module flory flory.common flory.common.exceptions flory.common.math flory.common.phases flory.common.utilities flory.constraint flory.constraint.base flory.constraint.linear_global flory.constraint.linear_local flory.constraint.no flory.ensemble flory.ensemble.base flory.ensemble.canonical flory.ensemble.grandcanonical flory.entropy flory.entropy.base flory.entropy.ideal_gas flory.entropy.ideal_gas_polydispersed flory.free_energy flory.free_energy.base flory.free_energy.flory_huggins flory.interaction flory.interaction.base flory.interaction.flory_huggins flory.interaction.flory_huggins_block flory.mcmp flory.mcmp._finder_impl flory.mcmp.finder flory.shortcut

multicomponent_self_consistent_metastep() (in module flory.mcmp._finder_impl) mus (flory.ensemble.grandcanonical.GrandCanonicalEnsemble.from_chemical_potential parameter), [1]

N

NoConstraint (class in flory.constraint.no) NoConstraintCompiled (class in flory.constraint.no) normalize() (CanonicalEnsembleCompiled method) (EnsembleBaseCompiled method) (GrandCanonicalEnsembleCompiled method) (Phases method) (PhasesResult method) num_comp (CanonicalEnsemble property) (CanonicalEnsembleCompiled property) (EnsembleBase property) (EnsembleBaseCompiled property) (EntropyBaseCompiled property) (flory.ensemble.base.EnsembleBase parameter), [1] (flory.ensemble.canonical.CanonicalEnsemble parameter), [1] (flory.ensemble.grandcanonical.GrandCanonicalEnsemble parameter), [1] (flory.ensemble.grandcanonical.GrandCanonicalEnsemble.from_chemical_potential parameter), [1] (flory.entropy.base.EntropyBase parameter), [1] (flory.entropy.ideal_gas.IdealGasEntropy parameter), [1] (flory.entropy.ideal_gas.IdealGasEntropyBase parameter), [1] (flory.free_energy.flory_huggins.FloryHuggins parameter), [1] (flory.interaction.base.InteractionBase parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.from_random_normal parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.from_uniform parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteractionBase parameter), [1] (flory.shortcut.find_coexisting_phases parameter), [1] (GrandCanonicalEnsemble property) (GrandCanonicalEnsembleCompiled property) (IdealGasEntropyCompiled property) (IdealGasPolydispersedEntropyCompiled property) num_comp_per_feat (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled parameter), [1] (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction parameter), [1] (FloryHugginsBlockInteraction property)

num_components (Phases property) (PhasesResult property) num_comps (flory.common.phases.get_uniform_random_composition parameter), [1] num_feat (ConstraintBaseCompiled property) (EntropyBaseCompiled property) (flory.constraint.base.ConstraintBase parameter), [1] (flory.constraint.linear_global.LinearGlobalConstraint parameter), [1] (flory.constraint.linear_local.LinearLocalConstraint parameter), [1] (flory.constraint.no.NoConstraint parameter), [1] (flory.constraint.no.NoConstraintCompiled parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy parameter), [1] (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction parameter), [1] (FloryHugginsInteractionCompiled property) (IdealGasEntropyCompiled property) (IdealGasPolydispersedEntropyCompiled property) (InteractionBaseCompiled property) (LinearGlobalConstraintCompiled property) (LinearLocalConstraintCompiled property) (NoConstraintCompiled property) num_part (flory.constraint.base.ConstraintBaseCompiled.initialize parameter), [1], [2], [3], [4] (flory.constraint.linear_global.LinearGlobalConstraintCompiled.initialize parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled.initialize parameter), [1] (flory.constraint.no.NoConstraintCompiled.initialize parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] num_phases (Phases property) (PhasesResult property) num_unstable_modes() (FloryHuggins method) (FreeEnergyBase method)

O

omegas (CoexistingPhasesFinder property) (flory.entropy.base.EntropyBaseCompiled.partition parameter), [1], [2], [3] (flory.entropy.ideal_gas.IdealGasEntropyCompiled.partition parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled.partition parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.reinitialize_from_omegas parameter), [1]

order (flory.free_energy.base.FreeEnergyBase.equilibration_error parameter), [1], [2] (flory.free_energy.flory_huggins.FloryHuggins.equilibration_error parameter)

P

partition() (EntropyBaseCompiled method) (IdealGasEntropyCompiled method) (IdealGasPolydispersedEntropyCompiled method) Phases (class in flory.common.phases) phases (flory.common.phases.PhasesResult.from_phases parameter), [1] PhasesResult (class in flory.common.phases) phi_means (CanonicalEnsemble property) (flory.ensemble.canonical.CanonicalEnsemble parameter), [1] (flory.ensemble.canonical.CanonicalEnsembleCompiled parameter), [1] (flory.shortcut.find_coexisting_phases parameter), [1] phis (flory.entropy.base.EntropyBase._energy_impl parameter), [1], [2], [3], [4] (flory.entropy.base.EntropyBase._hessian_impl parameter), [1], [2], [3], [4] (flory.entropy.base.EntropyBase._jacobian_impl parameter), [1], [2], [3], [4] (flory.entropy.ideal_gas.IdealGasEntropy._energy_impl parameter) (flory.entropy.ideal_gas.IdealGasEntropy._hessian_impl parameter) (flory.entropy.ideal_gas.IdealGasEntropy._jacobian_fractions_impl parameter) (flory.entropy.ideal_gas.IdealGasEntropy._jacobian_impl parameter) (flory.entropy.ideal_gas.IdealGasEntropyBase._energy_impl parameter), [1], [2] (flory.entropy.ideal_gas.IdealGasEntropyBase._hessian_impl parameter), [1], [2] (flory.entropy.ideal_gas.IdealGasEntropyBase._jacobian_fractions_impl parameter), [1], [2] (flory.entropy.ideal_gas.IdealGasEntropyBase._jacobian_impl parameter), [1], [2] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy._energy_impl parameter) (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy._hessian_impl parameter) (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy._jacobian_fractions_impl parameter) (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy._jacobian_impl parameter) (flory.free_energy.base.FreeEnergyBase._energy_impl parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase._hessian_impl parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase._jacobian_fractions_impl parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase._jacobian_impl parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.check_volume_fractions parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.chemical_potentials parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.equilibration_error parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.exchange_chemical_potentials parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.free_energy_density parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.hessian parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.is_stable parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.jacobian parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.num_unstable_modes parameter), [1], [2] (flory.free_energy.base.FreeEnergyBase.pressure parameter), [1], [2] (flory.free_energy.flory_huggins.FloryHuggins._energy_impl parameter) (flory.free_energy.flory_huggins.FloryHuggins._hessian_impl parameter) (flory.free_energy.flory_huggins.FloryHuggins._jacobian_fractions_impl parameter) (flory.free_energy.flory_huggins.FloryHuggins._jacobian_impl parameter) (flory.free_energy.flory_huggins.FloryHuggins.check_volume_fractions parameter) (flory.free_energy.flory_huggins.FloryHuggins.chemical_potentials parameter) (flory.free_energy.flory_huggins.FloryHuggins.equilibration_error parameter) (flory.free_energy.flory_huggins.FloryHuggins.exchange_chemical_potentials parameter) (flory.free_energy.flory_huggins.FloryHuggins.free_energy_density parameter) (flory.free_energy.flory_huggins.FloryHuggins.hessian parameter) (flory.free_energy.flory_huggins.FloryHuggins.is_stable parameter) (flory.free_energy.flory_huggins.FloryHuggins.jacobian parameter) (flory.free_energy.flory_huggins.FloryHuggins.num_unstable_modes parameter) (flory.free_energy.flory_huggins.FloryHuggins.pressure parameter) (flory.interaction.base.InteractionBase._energy_impl parameter), [1], [2], [3], [4] (flory.interaction.base.InteractionBase._hessian_impl parameter), [1], [2], [3], [4] (flory.interaction.base.InteractionBase._jacobian_impl parameter), [1], [2], [3], [4] (flory.interaction.flory_huggins.FloryHugginsInteraction._energy_impl parameter) (flory.interaction.flory_huggins.FloryHugginsInteraction._hessian_impl parameter) (flory.interaction.flory_huggins.FloryHugginsInteraction._jacobian_impl parameter) (flory.interaction.flory_huggins.FloryHugginsInteractionBase._energy_impl parameter), [1], [2] (flory.interaction.flory_huggins.FloryHugginsInteractionBase._hessian_impl parameter), [1], [2] (flory.interaction.flory_huggins.FloryHugginsInteractionBase._jacobian_impl parameter), [1], [2] (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction._energy_impl parameter) (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction._hessian_impl parameter) (flory.interaction.flory_huggins_block.FloryHugginsBlockInteraction._jacobian_impl parameter) (flory.mcmp.finder.CoexistingPhasesFinder.reinitialize_from_phis parameter), [1]

phis_comp (flory.ensemble.base.EnsembleBaseCompiled.normalize parameter), [1], [2], [3] (flory.ensemble.canonical.CanonicalEnsembleCompiled.normalize parameter), [1] (flory.ensemble.grandcanonical.GrandCanonicalEnsembleCompiled.normalize parameter), [1] (flory.entropy.base.EntropyBaseCompiled.comp_to_feat parameter), [1], [2], [3] (flory.entropy.base.EntropyBaseCompiled.partition parameter), [1], [2], [3] (flory.entropy.ideal_gas.IdealGasEntropyCompiled.comp_to_feat parameter), [1] (flory.entropy.ideal_gas.IdealGasEntropyCompiled.partition parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled.comp_to_feat parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled.partition parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] phis_feat (flory.constraint.base.ConstraintBaseCompiled.prepare parameter), [1], [2], [3], [4] (flory.constraint.linear_global.LinearGlobalConstraintCompiled.prepare parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled.prepare parameter), [1] (flory.constraint.no.NoConstraintCompiled.prepare parameter), [1] (flory.entropy.base.EntropyBaseCompiled.comp_to_feat parameter), [1], [2], [3] (flory.entropy.ideal_gas.IdealGasEntropyCompiled.comp_to_feat parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled.comp_to_feat parameter), [1] (flory.interaction.base.InteractionBaseCompiled.incomp_coef parameter), [1], [2] (flory.interaction.base.InteractionBaseCompiled.potential parameter), [1], [2] (flory.interaction.base.InteractionBaseCompiled.volume_derivative parameter), [1], [2] (flory.interaction.flory_huggins.FloryHugginsInteractionCompiled.incomp_coef parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteractionCompiled.potential parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteractionCompiled.volume_derivative parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] potential (ConstraintBaseCompiled property) (flory.interaction.base.InteractionBaseCompiled.volume_derivative parameter), [1], [2] (flory.interaction.flory_huggins.FloryHugginsInteractionCompiled.volume_derivative parameter), [1] (LinearGlobalConstraintCompiled property) (LinearLocalConstraintCompiled property) (NoConstraintCompiled property) potential() (FloryHugginsInteractionCompiled method) (InteractionBaseCompiled method) prepare() (ConstraintBaseCompiled method) (LinearGlobalConstraintCompiled method) (LinearLocalConstraintCompiled method) (NoConstraintCompiled method) pressure() (FloryHuggins method) (FreeEnergyBase method) progress (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.run parameter), [1]

Q

Qs (flory.ensemble.base.EnsembleBaseCompiled.normalize parameter), [1], [2], [3] (flory.ensemble.canonical.CanonicalEnsembleCompiled.normalize parameter), [1] (flory.ensemble.grandcanonical.GrandCanonicalEnsembleCompiled.normalize parameter), [1]

R

random_std (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] reinitialize_constraint() (CoexistingPhasesFinder method) reinitialize_from_omegas() (CoexistingPhasesFinder method) reinitialize_from_phis() (CoexistingPhasesFinder method) reinitialize_random() (CoexistingPhasesFinder method) reset_revive() (CoexistingPhasesFinder method) revive_compartments_by_copy() (in module flory.mcmp._finder_impl) revive_compartments_by_random() (in module flory.mcmp._finder_impl) revive_scaler (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1]

revive_tries (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] rng (flory.common.phases.get_uniform_random_composition parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.from_random_normal parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.set_random_chis parameter), [1] (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_copy parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_random parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] run() (CoexistingPhasesFinder method)

S

scaled_activity (flory.ensemble.grandcanonical.GrandCanonicalEnsemble parameter), [1] (flory.ensemble.grandcanonical.GrandCanonicalEnsembleCompiled parameter), [1] (GrandCanonicalEnsemble property) scaler (flory.mcmp._finder_impl.revive_compartments_by_random parameter), [1] set_constraints() (CoexistingPhasesFinder method) set_ensemble() (CoexistingPhasesFinder method) set_entropy() (CoexistingPhasesFinder method) set_interaction() (CoexistingPhasesFinder method) set_random_chis() (FloryHugginsInteraction method) set_uniform_chis() (FloryHugginsInteraction method) shape (flory.common.utilities.convert_and_broadcast parameter), [1] sizes (flory.ensemble.grandcanonical.GrandCanonicalEnsemble.from_chemical_potential parameter), [1] (flory.entropy.ideal_gas.IdealGasEntropy parameter), [1] (flory.entropy.ideal_gas.IdealGasEntropyBase parameter), [1] (flory.entropy.ideal_gas.IdealGasEntropyCompiled parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropy parameter), [1] (flory.entropy.ideal_gas_polydispersed.IdealGasPolydispersedEntropyCompiled parameter), [1] (flory.free_energy.flory_huggins.FloryHuggins parameter), [1] (flory.shortcut.find_coexisting_phases parameter), [1] (FloryHuggins property) (IdealGasEntropy property) (IdealGasPolydispersedEntropy property)

sort() (Phases method) (PhasesResult method) step (flory.constraint.base.ConstraintBaseCompiled.evolve parameter), [1], [2], [3], [4] (flory.constraint.linear_global.LinearGlobalConstraintCompiled.evolve parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled.evolve parameter), [1] (flory.constraint.no.NoConstraintCompiled.evolve parameter), [1] steps_inner (flory.mcmp._finder_impl.multicomponent_self_consistent_metastep parameter), [1]

T

targets (flory.mcmp._finder_impl.revive_compartments_by_copy parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_random parameter), [1] threshold (flory.mcmp._finder_impl.count_valid_compartments parameter), [1] (flory.mcmp._finder_impl.make_valid_compartment_masks parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_copy parameter), [1] (flory.mcmp._finder_impl.revive_compartments_by_random parameter), [1] tolerance (flory.mcmp.finder.CoexistingPhasesFinder parameter), [1] (flory.mcmp.finder.CoexistingPhasesFinder.run parameter), [1]

total_volume (Phases property) (PhasesResult property) Ts (flory.constraint.linear_global.LinearGlobalConstraint parameter), [1] (flory.constraint.linear_global.LinearGlobalConstraintCompiled parameter), [1] (flory.constraint.linear_local.LinearLocalConstraint parameter), [1] (flory.constraint.linear_local.LinearLocalConstraintCompiled parameter), [1] (LinearGlobalConstraint property) (LinearLocalConstraint property)

V

vanishing_diagonal (flory.interaction.flory_huggins.FloryHugginsInteraction.from_random_normal parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.from_uniform parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.set_random_chis parameter), [1] (flory.interaction.flory_huggins.FloryHugginsInteraction.set_uniform_chis parameter), [1] volume_derivative (ConstraintBaseCompiled property) (LinearGlobalConstraintCompiled property) (LinearLocalConstraintCompiled property) (NoConstraintCompiled property)

volume_derivative() (EntropyBaseCompiled method) (FloryHugginsInteractionCompiled method) (IdealGasEntropyCompiled method) (IdealGasPolydispersedEntropyCompiled method) (InteractionBaseCompiled method) VolumeFractionError volumes (flory.common.phases.Phases parameter), [1] (flory.common.phases.PhasesResult parameter), [1]