pycalphad
0.8+5.g38884a2
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Examples
FAQ
API Documentation
What’s New
pycalphad
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Index
Index
A
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B
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C
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D
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E
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F
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G
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H
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I
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J
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L
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M
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N
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O
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P
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R
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S
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T
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U
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V
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W
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X
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Y
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Z
A
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)
apply_options() (pycalphad.core.solver.InteriorPointSolver method)
,
[1]
ast() (pycalphad.model.Model property)
atomic_ordering_energy() (pycalphad.model.Model method)
B
blacklisted() (pycalphad.io.tdb.TCPrinter method)
build_callables() (in module pycalphad.codegen.callables)
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.problem.Problem method)
(pycalphad.core.solver.SolverResult property)
ChemicalPotential (class in pycalphad.variables)
cl (pycalphad.core.problem.Problem attribute)
cla() (pycalphad.plot.triangular.TriangularAxes method)
components (pycalphad.core.phase_rec.PhaseRecord attribute)
Composition (class in pycalphad.variables)
composition_sets (pycalphad.core.problem.Problem attribute)
CompositionSet (class in pycalphad.core.composition_set)
ConditionError
conditions (pycalphad.core.problem.Problem attribute)
cons_func() (pycalphad.core.constraints.ConstraintFunctions property)
cons_hess() (pycalphad.core.constraints.ConstraintFunctions property)
cons_jac() (pycalphad.core.constraints.ConstraintFunctions property)
constituents (pycalphad.io.database.Phase attribute)
(pycalphad.variables.Species attribute)
ConstraintFunctions (class in pycalphad.core.constraints)
constraints() (pycalphad.core.problem.Problem method)
ConstraintTuple (class in pycalphad.core.constraints)
contributions (pycalphad.model.Model attribute)
converged() (pycalphad.core.solver.SolverResult property)
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.Composition 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)
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
fhash() (in module pycalphad.core.cache)
filter_phases() (in module pycalphad.core.utils)
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_file() (pycalphad.io.database.Database static method)
from_string() (pycalphad.io.database.Database class method)
func() (pycalphad.codegen.sympydiff_utils.BuildFunctionsResult property)
G
generate_dof() (in module pycalphad.core.utils)
get_internal_constraints() (pycalphad.model.Model method)
get_multiphase_constraint_rhs() (in module pycalphad.core.constraints)
get_multiphase_constraints() (pycalphad.model.Model method)
get_pure_elements() (in module pycalphad.core.utils)
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)
global_min_is_possible() (in module pycalphad.core.starting_point)
GM() (pycalphad.model.Model property)
GM_MIX() (pycalphad.model.Model property)
grad (pycalphad.core.composition_set.CompositionSet attribute)
grad() (pycalphad.codegen.sympydiff_utils.BuildFunctionsResult property)
(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 property)
(pycalphad.core.phase_rec.PhaseRecord method)
hessian() (pycalphad.core.problem.Problem method)
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)
infeasibility_threshold (pycalphad.core.solver.InteriorPointSolver attribute)
instantiate_models() (in module pycalphad.core.utils)
InteriorPointSolver (class in pycalphad.core.solver)
internal_cons() (pycalphad.core.constraints.ConstraintTuple property)
internal_cons_hess() (pycalphad.core.constraints.ConstraintTuple property)
internal_cons_hessian() (pycalphad.core.phase_rec.PhaseRecord method)
internal_constraints() (pycalphad.core.phase_rec.PhaseRecord method)
internal_jac() (pycalphad.core.constraints.ConstraintTuple property)
internal_jacobian() (pycalphad.core.phase_rec.PhaseRecord method)
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)
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)
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)
mole_fraction() (pycalphad.model.Model static method)
moles() (pycalphad.model.Model method)
MU (in module pycalphad.variables)
multiphase_cons() (pycalphad.core.constraints.ConstraintTuple property)
multiphase_constraints() (pycalphad.core.phase_rec.PhaseRecord method)
multiphase_jac() (pycalphad.core.constraints.ConstraintTuple property)
multiphase_jacobian() (pycalphad.core.phase_rec.PhaseRecord method)
N
name (pycalphad.io.database.Phase attribute)
(pycalphad.plot.triangular.TriangularAxes attribute)
(pycalphad.variables.ChemicalPotential attribute)
(pycalphad.variables.Composition 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.phase_rec.PhaseRecord attribute)
num_internal_cons() (pycalphad.core.constraints.ConstraintTuple property)
num_internal_constraints (pycalphad.core.problem.Problem attribute)
num_multiphase_cons (pycalphad.core.phase_rec.PhaseRecord attribute)
num_multiphase_cons() (pycalphad.core.constraints.ConstraintTuple property)
num_phases (pycalphad.core.problem.Problem attribute)
num_vars (pycalphad.core.problem.Problem attribute)
number_of_atoms() (pycalphad.variables.Species property)
O
obj() (pycalphad.core.phase_rec.PhaseRecord method)
objective() (pycalphad.core.problem.Problem method)
P
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)
piecewise_eval() (in module pycalphad.core.patched_piecewise)
point_sample() (in module pycalphad.core.utils)
Problem (class in pycalphad.core.problem)
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)
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 property)
read_tdb() (in module pycalphad.io.tdb)
redlich_kister_sum() (pycalphad.model.Model method)
reference_energy() (pycalphad.model.Model method)
reference_model() (pycalphad.model.Model property)
ReferenceState (class in pycalphad.model)
reflow_text() (in module pycalphad.io.tdb)
register_format() (pycalphad.io.database.Database static method)
S
search() (pycalphad.io.database.Database method)
shift_reference_state() (pycalphad.model.Model method)
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.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)
T
TC (pycalphad.model.Model attribute)
TCCommand (class in pycalphad.io.tdb)
TCPrinter (class in pycalphad.io.tdb)
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)
twostate_energy() (pycalphad.model.Model method)
U
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
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 property)
write_tdb() (in module pycalphad.io.tdb)
X
X (in module pycalphad.variables)
(pycalphad.core.composition_set.CompositionSet attribute)
x() (pycalphad.core.solver.SolverResult property)
x0 (pycalphad.core.problem.Problem attribute)
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)
Z
zero_seen (pycalphad.core.composition_set.CompositionSet attribute)