Index

A

a (pycalphad.plot.binary.compsets.CompsetPair attribute) add_compsets() (pycalphad.plot.binary.zpf_boundary_sets.TwoPhaseRegion method) (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets method) add_parameter() (pycalphad.io.database.Database method) add_phase() (pycalphad.io.database.Database method)

add_phase_constituents() (pycalphad.io.database.Database method) add_structure_entry() (pycalphad.io.database.Database method) all_compsets (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets attribute) apply_options() (pycalphad.core.solver.InteriorPointSolver method), [1] ast() (pycalphad.model.Model property) atomic_ordering_energy() (pycalphad.model.Model method)

B

b (pycalphad.plot.binary.compsets.CompsetPair attribute) BinaryCompset (class in pycalphad.plot.binary.compsets) binplot() (in module pycalphad.plot.binary.plot) blacklisted() (pycalphad.io.tdb.TCPrinter method) build_callables() (in module pycalphad.codegen.callables)

build_constraint_functions() (in module pycalphad.codegen.sympydiff_utils) build_constraints() (in module pycalphad.core.constraints) build_functions() (in module pycalphad.codegen.sympydiff_utils) build_phase() (pycalphad.model.Model method) build_phase_records() (in module pycalphad.codegen.callables) BuildFunctionsResult (class in pycalphad.codegen.sympydiff_utils)

C

cacheit() (in module pycalphad.core.cache) calculate() (in module pycalphad.core.calculate) CalculateError can_zoom() (pycalphad.plot.triangular.TriangularAxes method) cartesian() (in module pycalphad.core.cartesian) charge (pycalphad.variables.Species attribute) chemical_potential_gradient() (pycalphad.core.problem.Problem method) chemical_potentials (pycalphad.core.solver.SolverResult attribute) chemical_potentials() (pycalphad.core.problem.Problem method) ChemicalPotential (class in pycalphad.variables) cl (pycalphad.core.problem.Problem attribute) cla() (pycalphad.plot.triangular.TriangularAxes method) components (pycalphad.core.phase_rec.PhaseRecord attribute) (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets attribute) composition_sets (pycalphad.core.problem.Problem attribute) compositions (pycalphad.plot.binary.compsets.CompsetPair attribute) CompositionSet (class in pycalphad.core.composition_set) CompsetPair (class in pycalphad.plot.binary.compsets)

compsets (pycalphad.plot.binary.compsets.CompsetPair attribute) (pycalphad.plot.binary.zpf_boundary_sets.TwoPhaseRegion attribute) compsets_belong_in_region() (pycalphad.plot.binary.zpf_boundary_sets.TwoPhaseRegion method) ConditionError conditions (pycalphad.core.problem.Problem attribute) cons_func (pycalphad.codegen.sympydiff_utils.ConstraintFunctions attribute) cons_hess (pycalphad.codegen.sympydiff_utils.ConstraintFunctions attribute) cons_jac (pycalphad.codegen.sympydiff_utils.ConstraintFunctions attribute) constituents (pycalphad.io.database.Phase attribute) (pycalphad.variables.Species attribute) ConstraintFunctions (class in pycalphad.codegen.sympydiff_utils) constraints() (pycalphad.core.problem.Problem method) ConstraintTuple (class in pycalphad.core.constraints) contributions (pycalphad.model.Model attribute) converged (pycalphad.core.solver.SolverResult attribute) CPM() (pycalphad.model.Model property) CPM_MIX() (pycalphad.model.Model property) cu (pycalphad.core.problem.Problem attribute) curie_temperature (pycalphad.model.Model attribute)

D

Database (class in pycalphad.io.database) DatabaseExportError DatabaseFormat (class in pycalphad.io.database) default_assumptions (pycalphad.variables.ChemicalPotential attribute) (pycalphad.variables.MassFraction attribute) (pycalphad.variables.MoleFraction attribute) (pycalphad.variables.PhaseFraction attribute) (pycalphad.variables.SiteFraction attribute) (pycalphad.variables.StateVariable attribute)

degree_of_ordering() (pycalphad.model.Model property) dof (pycalphad.core.composition_set.CompositionSet attribute) DofError DOO() (pycalphad.model.Model property) drag_pan() (pycalphad.plot.triangular.TriangularAxes method)

E

einstein_energy() (pycalphad.model.Model method) elements (pycalphad.io.database.Database attribute) end_pan() (pycalphad.plot.triangular.TriangularAxes method) endmember_matrix() (in module pycalphad.core.utils) energy (pycalphad.core.composition_set.CompositionSet attribute) energy() (pycalphad.model.Model property) enthalpy() (pycalphad.model.Model property) entropy() (pycalphad.model.Model property)

eqplot() (in module pycalphad.plot.eqplot) equilibrium() (in module pycalphad.core.equilibrium) EquilibriumError escaped_name() (pycalphad.variables.Species property) excess_mixing_energy() (pycalphad.model.Model method) expand_keyword() (in module pycalphad.io.tdb_keywords) exprcondpair_new() (in module pycalphad.core.patched_piecewise) extract_parameters() (in module pycalphad.core.utils)

F

FastFunction (class in pycalphad.core.phase_rec) fhash() (in module pycalphad.core.cache) filter_phases() (in module pycalphad.core.utils) find_two_phase_region_compsets() (in module pycalphad.plot.binary.compsets) fixed_chempot_indices (pycalphad.core.problem.Problem attribute) fixed_chempot_values (pycalphad.core.problem.Problem attribute)

fixed_dof_indices (pycalphad.core.problem.Problem attribute) fixed_statevars (pycalphad.model.ReferenceState attribute) from_dataset_vertices() (pycalphad.plot.binary.compsets.BinaryCompset class method) from_file() (pycalphad.io.database.Database static method) from_string() (pycalphad.io.database.Database class method) func (pycalphad.codegen.sympydiff_utils.BuildFunctionsResult attribute)

G

generate_dof() (in module pycalphad.core.utils) get_compsets() (in module pycalphad.plot.binary.compsets) get_internal_constraints() (pycalphad.model.Model method) get_line_plot_boundaries() (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets method) get_mass_fractions() (in module pycalphad.variables) get_mole_fractions() (in module pycalphad.variables) get_multiphase_constraint_rhs() (in module pycalphad.core.constraints) get_multiphase_constraints() (pycalphad.model.Model method) get_phases() (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets method) get_pure_elements() (in module pycalphad.core.utils) get_scatter_plot_boundaries() (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets method) get_state_variables() (in module pycalphad.core.utils) get_xaxis_text1_transform() (pycalphad.plot.triangular.TriangularAxes method)

get_xaxis_text2_transform() (pycalphad.plot.triangular.TriangularAxes method) get_xaxis_transform() (pycalphad.plot.triangular.TriangularAxes method) get_yaxis_text1_transform() (pycalphad.plot.triangular.TriangularAxes method) get_yaxis_text2_transform() (pycalphad.plot.triangular.TriangularAxes method) get_yaxis_transform() (pycalphad.plot.triangular.TriangularAxes method) gfunc_ (pycalphad.core.phase_rec.PhaseRecord attribute) global_min_is_possible() (in module pycalphad.core.starting_point) GM() (pycalphad.model.Model property) GM_MIX() (pycalphad.model.Model property) grad (pycalphad.codegen.sympydiff_utils.BuildFunctionsResult attribute) (pycalphad.core.composition_set.CompositionSet attribute) grad() (pycalphad.core.phase_rec.PhaseRecord method) gradient (pycalphad.model.Model attribute) gradient() (pycalphad.core.problem.Problem method)

H

halton() (in module pycalphad.core.halton) heat_capacity() (pycalphad.model.Model property) hess (pycalphad.codegen.sympydiff_utils.BuildFunctionsResult attribute) hess() (pycalphad.core.phase_rec.PhaseRecord method)

hessian() (pycalphad.core.problem.Problem method) hfunc_ (pycalphad.core.phase_rec.PhaseRecord attribute) HM() (pycalphad.model.Model property) HM_MIX() (pycalphad.model.Model property) hyperplane() (in module pycalphad.core.hyperplane)

I

ideal_mixing_energy() (pycalphad.model.Model method) ignore_convergence (pycalphad.core.solver.SolverBase attribute) indep_comp_cond (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets attribute) infeasibility_threshold (pycalphad.core.solver.InteriorPointSolver attribute) instantiate_models() (in module pycalphad.core.utils) InteriorPointSolver (class in pycalphad.core.solver) internal_cons_func (pycalphad.core.constraints.ConstraintTuple attribute) internal_cons_func() (pycalphad.core.phase_rec.PhaseRecord method)

internal_cons_func_ (pycalphad.core.phase_rec.PhaseRecord attribute) internal_cons_hess (pycalphad.core.constraints.ConstraintTuple attribute) internal_cons_hess() (pycalphad.core.phase_rec.PhaseRecord method) internal_cons_hess_ (pycalphad.core.phase_rec.PhaseRecord attribute) internal_cons_jac (pycalphad.core.constraints.ConstraintTuple attribute) internal_cons_jac() (pycalphad.core.phase_rec.PhaseRecord method) internal_cons_jac_ (pycalphad.core.phase_rec.PhaseRecord attribute) ipopt_options (pycalphad.core.solver.InteriorPointSolver attribute) is_multiphase_constraint() (in module pycalphad.core.constraints)

J

jacobian() (pycalphad.core.problem.Problem method)

L

lower_convex_hull() (in module pycalphad.core.lower_convex_hull)

lru_cache() (in module pycalphad.core.cache)

M

magnetic_energy() (pycalphad.model.Model method) make_callable() (in module pycalphad.core.utils) map_binary() (in module pycalphad.plot.binary.map) mass_cons_hessian() (pycalphad.core.problem.Problem method) mass_grad() (pycalphad.core.phase_rec.PhaseRecord method) mass_gradient() (pycalphad.core.problem.Problem method) mass_hess() (pycalphad.core.phase_rec.PhaseRecord method) mass_jacobian() (pycalphad.core.problem.Problem method) mass_obj() (pycalphad.core.phase_rec.PhaseRecord method) mass_obj_2d() (pycalphad.core.phase_rec.PhaseRecord method) MassFraction (class in pycalphad.variables) massfuncs_ (pycalphad.core.phase_rec.PhaseRecord attribute) massgradfuncs_ (pycalphad.core.phase_rec.PhaseRecord attribute) masshessianfuncs_ (pycalphad.core.phase_rec.PhaseRecord attribute) max_composition (pycalphad.plot.binary.compsets.CompsetPair attribute) mean_composition (pycalphad.plot.binary.compsets.CompsetPair attribute) min_composition (pycalphad.plot.binary.compsets.CompsetPair attribute) mixing_energy() (pycalphad.model.Model property) mixing_enthalpy() (pycalphad.model.Model property) mixing_entropy() (pycalphad.model.Model property) mixing_heat_capacity() (pycalphad.model.Model property) Model (class in pycalphad.model) model_hints (pycalphad.io.database.Phase attribute) module pycalphad pycalphad.codegen pycalphad.codegen.callables pycalphad.codegen.sympydiff_utils pycalphad.core pycalphad.core.cache pycalphad.core.calculate pycalphad.core.cartesian pycalphad.core.composition_set pycalphad.core.constants pycalphad.core.constraints pycalphad.core.eqsolver pycalphad.core.equilibrium pycalphad.core.errors pycalphad.core.halton pycalphad.core.hyperplane pycalphad.core.lower_convex_hull pycalphad.core.patched_piecewise pycalphad.core.phase_rec pycalphad.core.problem pycalphad.core.solver pycalphad.core.starting_point pycalphad.core.utils pycalphad.io pycalphad.io.database pycalphad.io.grammar pycalphad.io.tdb pycalphad.io.tdb_keywords pycalphad.model pycalphad.plot pycalphad.plot.binary, [1] pycalphad.plot.binary.compsets pycalphad.plot.binary.map pycalphad.plot.binary.plot pycalphad.plot.binary.zpf_boundary_sets pycalphad.plot.eqplot pycalphad.plot.ternary pycalphad.plot.triangular pycalphad.plot.utils pycalphad.variables

mole_fraction() (pycalphad.model.Model static method) MoleFraction (class in pycalphad.variables) moles() (pycalphad.model.Model method) MU (in module pycalphad.variables) multiphase_cons_func (pycalphad.core.constraints.ConstraintTuple attribute) multiphase_cons_func() (pycalphad.core.phase_rec.PhaseRecord method) multiphase_cons_func_ (pycalphad.core.phase_rec.PhaseRecord attribute) multiphase_cons_hess (pycalphad.core.constraints.ConstraintTuple attribute) multiphase_cons_hess() (pycalphad.core.phase_rec.PhaseRecord method) multiphase_cons_hess_ (pycalphad.core.phase_rec.PhaseRecord attribute) multiphase_cons_jac (pycalphad.core.constraints.ConstraintTuple attribute) multiphase_cons_jac() (pycalphad.core.phase_rec.PhaseRecord method) multiphase_cons_jac_ (pycalphad.core.phase_rec.PhaseRecord attribute)

N

name (pycalphad.io.database.Phase attribute) (pycalphad.plot.triangular.TriangularAxes attribute) (pycalphad.variables.ChemicalPotential attribute) (pycalphad.variables.MassFraction attribute) (pycalphad.variables.MoleFraction attribute) (pycalphad.variables.PhaseFraction attribute) (pycalphad.variables.SiteFraction attribute) (pycalphad.variables.Species attribute) (pycalphad.variables.StateVariable attribute) neel_temperature (pycalphad.model.Model attribute) nonvacant_elements (pycalphad.core.phase_rec.PhaseRecord attribute) (pycalphad.core.problem.Problem attribute)

NP (pycalphad.core.composition_set.CompositionSet attribute) NT (pycalphad.model.Model attribute) num_constraints (pycalphad.core.problem.Problem attribute) num_fixed_dof_constraints (pycalphad.core.problem.Problem attribute) num_internal_cons (pycalphad.core.constraints.ConstraintTuple attribute) (pycalphad.core.phase_rec.PhaseRecord attribute) num_internal_constraints (pycalphad.core.problem.Problem attribute) num_multiphase_cons (pycalphad.core.constraints.ConstraintTuple attribute) (pycalphad.core.phase_rec.PhaseRecord attribute) num_phases (pycalphad.core.problem.Problem attribute) num_statevars (pycalphad.core.phase_rec.PhaseRecord attribute) num_vars (pycalphad.core.problem.Problem attribute) number_of_atoms() (pycalphad.variables.Species property)

O

obj() (pycalphad.core.phase_rec.PhaseRecord method) obj_2d() (pycalphad.core.phase_rec.PhaseRecord method) obj_hessian() (pycalphad.core.problem.Problem method)

obj_parameters_2d() (pycalphad.core.phase_rec.PhaseRecord method) objective() (pycalphad.core.problem.Problem method) ofunc_ (pycalphad.core.phase_rec.PhaseRecord attribute)

P

pairwise_xdiscrepancy() (pycalphad.plot.binary.compsets.CompsetPair method) parameters (pycalphad.core.phase_rec.PhaseRecord attribute) parse_chemical_formula() (in module pycalphad.io.grammar) parseImpl() (pycalphad.io.tdb.TCCommand method) Phase (class in pycalphad.io.database) phase_dof (pycalphad.core.phase_rec.PhaseRecord attribute) phase_legend() (in module pycalphad.plot.utils) phase_name (pycalphad.core.phase_rec.PhaseRecord attribute) (pycalphad.model.ReferenceState attribute) phase_record (pycalphad.core.composition_set.CompositionSet attribute) PhaseFraction (class in pycalphad.variables) PhaseRecord (class in pycalphad.core.phase_rec) phases (pycalphad.io.database.Database attribute) (pycalphad.plot.binary.compsets.CompsetPair attribute) (pycalphad.plot.binary.zpf_boundary_sets.TwoPhaseRegion attribute) piecewise_eval() (in module pycalphad.core.patched_piecewise) plot_boundaries() (in module pycalphad.plot.binary.plot) point_sample() (in module pycalphad.core.utils) Problem (class in pycalphad.core.problem) process_parameter_queue() (pycalphad.io.database.Database method) pure_elements (pycalphad.core.phase_rec.PhaseRecord attribute) (pycalphad.core.problem.Problem attribute) pycalphad module pycalphad.codegen module pycalphad.codegen.callables module pycalphad.codegen.sympydiff_utils module pycalphad.core module pycalphad.core.cache module pycalphad.core.calculate module pycalphad.core.cartesian module pycalphad.core.composition_set module pycalphad.core.constants module pycalphad.core.constraints module pycalphad.core.eqsolver module pycalphad.core.equilibrium module pycalphad.core.errors module pycalphad.core.halton module

pycalphad.core.hyperplane module pycalphad.core.lower_convex_hull module pycalphad.core.patched_piecewise module pycalphad.core.phase_rec module pycalphad.core.problem module pycalphad.core.solver module pycalphad.core.starting_point module pycalphad.core.utils module pycalphad.io module pycalphad.io.database module pycalphad.io.grammar module pycalphad.io.tdb module pycalphad.io.tdb_keywords module pycalphad.model module pycalphad.plot module pycalphad.plot.binary module, [1] pycalphad.plot.binary.compsets module pycalphad.plot.binary.map module pycalphad.plot.binary.plot module pycalphad.plot.binary.zpf_boundary_sets module pycalphad.plot.eqplot module pycalphad.plot.ternary module pycalphad.plot.triangular module pycalphad.plot.utils module pycalphad.variables module

R

read (pycalphad.io.database.DatabaseFormat attribute) read_tdb() (in module pycalphad.io.tdb) rebuild_two_phase_regions() (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets method) redlich_kister_sum() (pycalphad.model.Model method) reference_energy() (pycalphad.model.Model method)

reference_model() (pycalphad.model.Model property) references (pycalphad.io.database.Database attribute) ReferenceState (class in pycalphad.model) reflow_text() (in module pycalphad.io.tdb) register_format() (pycalphad.io.database.Database static method)

S

same_phase (pycalphad.plot.binary.compsets.CompsetPair attribute) search() (pycalphad.io.database.Database method) set_ylabel() (pycalphad.plot.triangular.TriangularAxes method) shift_reference_state() (pycalphad.model.Model method) SITE_FRAC_ATOL (pycalphad.plot.binary.compsets.BinaryCompset attribute) site_fraction (in module pycalphad.variables) SiteFraction (class in pycalphad.variables) sizeof_fmt() (in module pycalphad.core.utils) SM() (pycalphad.model.Model property) SM_MIX() (pycalphad.model.Model property) solve() (pycalphad.core.solver.InteriorPointSolver method), [1] (pycalphad.core.solver.SolverBase method)

SolverBase (class in pycalphad.core.solver) SolverResult (class in pycalphad.core.solver) Species (class in pycalphad.variables) species (pycalphad.io.database.Database attribute) (pycalphad.model.ReferenceState attribute) start_pan() (pycalphad.plot.triangular.TriangularAxes method) starting_point() (in module pycalphad.core.starting_point) state_variables (pycalphad.core.phase_rec.PhaseRecord attribute) StateVariable (class in pycalphad.variables) sublattices (pycalphad.io.database.Phase attribute) symbol_replace() (pycalphad.model.Model static method) symbols (pycalphad.io.database.Database attribute)

T

TC (pycalphad.model.Model attribute) TCCommand (class in pycalphad.io.tdb) TCPrinter (class in pycalphad.io.tdb) Tdiscrepancy() (pycalphad.plot.binary.compsets.CompsetPair method) temperature (pycalphad.plot.binary.compsets.CompsetPair attribute) TEMPERATURE_ATOL (pycalphad.plot.binary.compsets.BinaryCompset attribute) ternplot() (in module pycalphad.plot.ternary)

TestModel (class in pycalphad.model) to_file() (pycalphad.io.database.Database method) to_interval() (in module pycalphad.io.tdb) to_string() (pycalphad.io.database.Database method) TriangularAxes (class in pycalphad.plot.triangular) two_phase_regions (pycalphad.plot.binary.zpf_boundary_sets.ZPFBoundarySets attribute) TwoPhaseRegion (class in pycalphad.plot.binary.zpf_boundary_sets) twostate_energy() (pycalphad.model.Model method)

U

unique_phases (pycalphad.plot.binary.compsets.CompsetPair attribute) unpack_components() (in module pycalphad.core.utils)

unpack_condition() (in module pycalphad.core.utils) unpack_kwarg() (in module pycalphad.core.utils) unpack_phases() (in module pycalphad.core.utils)

V

variables (pycalphad.core.phase_rec.PhaseRecord attribute)

variables() (pycalphad.model.Model property) verbose (pycalphad.core.solver.InteriorPointSolver attribute)

W

W (in module pycalphad.variables) weight() (pycalphad.variables.Species property) wrap_symbol() (in module pycalphad.core.utils)

wrap_symbol_symengine() (in module pycalphad.core.utils) write (pycalphad.io.database.DatabaseFormat attribute) write_tdb() (in module pycalphad.io.tdb)

X

X (in module pycalphad.variables) (pycalphad.core.composition_set.CompositionSet attribute) x (pycalphad.core.solver.SolverResult attribute) x0 (pycalphad.core.problem.Problem attribute)

xdiscrepancy() (pycalphad.plot.binary.compsets.CompsetPair method) xiong_magnetic_energy() (pycalphad.model.Model method) xl (pycalphad.core.problem.Problem attribute) xu (pycalphad.core.problem.Problem attribute)

Y

Y (in module pycalphad.variables)

ydiscrepancy() (pycalphad.plot.binary.compsets.CompsetPair method) ydiscrepancy_max() (pycalphad.plot.binary.compsets.CompsetPair method)

Z

zero_seen (pycalphad.core.composition_set.CompositionSet attribute)

ZPFBoundarySets (class in pycalphad.plot.binary.zpf_boundary_sets)