Index

B

b_element_vector (exogibbs.api.chemistry.ThermoState attribute) (exogibbs.api.ThermoState attribute)

b_element_vector_reference (exogibbs.api.ChemicalSetup attribute) (exogibbs.api.chemistry.ChemicalSetup attribute) build_formula_matrix() (in module exogibbs.thermo.stoichiometry)

C

ChemicalSetup (class in exogibbs.api) (class in exogibbs.api.chemistry)

compute_k() (exogibbs.test.analytic_hsystem.HSystem method) compute_ln_normalized_pressure() (in module exogibbs.optimize.core) compute_residuals() (in module exogibbs.optimize.minimize)

D

delta() (exogibbs.test.analytic_hsystem.HSystem method) delta_dT() (exogibbs.test.analytic_hsystem.HSystem method) deltaT() (exogibbs.test.analytic_hcosystem.HCOSystem method)

derivative_dlnnCO_db() (in module exogibbs.test.analytic_hcosystem) dot_hv_h() (exogibbs.test.analytic_hsystem.HSystem method) dot_hv_h2() (exogibbs.test.analytic_hsystem.HSystem method)

E

elems (exogibbs.api.ChemicalSetup attribute) (exogibbs.api.chemistry.ChemicalSetup attribute) epsilon_crit (exogibbs.api.equilibrium.EquilibriumOptions attribute), [1] (exogibbs.api.EquilibriumOptions attribute), [1] equilibrium() (in module exogibbs.api.equilibrium) equilibrium_constant() (exogibbs.test.analytic_hcosystem.HCOSystem method) EquilibriumInit (class in exogibbs.api) (class in exogibbs.api.equilibrium) EquilibriumOptions (class in exogibbs.api) (class in exogibbs.api.equilibrium) EquilibriumResult (class in exogibbs.api) (class in exogibbs.api.equilibrium) exogibbs module exogibbs.api module exogibbs.api.chemistry module exogibbs.api.equilibrium module exogibbs.equilibrium module exogibbs.equilibrium.gibbs module exogibbs.exogibbs_version module exogibbs.io module exogibbs.io.load_data module

exogibbs.optimize module exogibbs.optimize.core module exogibbs.optimize.minimize module exogibbs.optimize.vjpgibbs module exogibbs.presets module exogibbs.presets.ykb4 module exogibbs.test module exogibbs.test.analytic_hcosystem module exogibbs.test.analytic_hsystem module exogibbs.test.generate_gibbs module exogibbs.test.reference_data module exogibbs.thermo module exogibbs.thermo.stoichiometry module exogibbs.utils module exogibbs.utils.constants module extract_and_pad_gibbs_data() (in module exogibbs.equilibrium.gibbs)

F

formula_matrix (exogibbs.api.ChemicalSetup attribute) (exogibbs.api.chemistry.ChemicalSetup attribute)

function_equilibrium() (in module exogibbs.test.analytic_hcosystem)

G

generate_gibbs_matrices() (in module exogibbs.test.generate_gibbs) get_data_filepath() (in module exogibbs.io.load_data)

get_hcosystem_tables() (exogibbs.test.analytic_hcosystem.HCOSystem method) get_hsystem_tables() (exogibbs.test.analytic_hsystem.HSystem method)

H

HCOSystem (class in exogibbs.test.analytic_hcosystem) HSystem (class in exogibbs.test.analytic_hsystem) hv_h() (exogibbs.test.analytic_hsystem.HSystem method)

hv_h2() (exogibbs.test.analytic_hsystem.HSystem method) hv_hco() (exogibbs.test.analytic_hcosystem.HCOSystem method) hvector_func (exogibbs.api.ChemicalSetup attribute) (exogibbs.api.chemistry.ChemicalSetup attribute)

I

interpolate_hvector_all() (in module exogibbs.equilibrium.gibbs) interpolate_hvector_one() (in module exogibbs.equilibrium.gibbs)

iterations (exogibbs.api.equilibrium.EquilibriumResult attribute) (exogibbs.api.EquilibriumResult attribute)

L

ln_n (exogibbs.api.equilibrium.EquilibriumResult attribute) (exogibbs.api.EquilibriumResult attribute) ln_nH2_dbH() (exogibbs.test.analytic_hsystem.HSystem method) ln_nH2_dlogp() (exogibbs.test.analytic_hsystem.HSystem method) ln_nH2_dT() (exogibbs.test.analytic_hsystem.HSystem method) ln_nH_dbH() (exogibbs.test.analytic_hsystem.HSystem method) ln_nH_dlogp() (exogibbs.test.analytic_hsystem.HSystem method) ln_nH_dT() (exogibbs.test.analytic_hsystem.HSystem method) ln_nk (exogibbs.api.equilibrium.EquilibriumInit attribute) (exogibbs.api.EquilibriumInit attribute)

ln_normalized_pressure (exogibbs.api.chemistry.ThermoState attribute) (exogibbs.api.ThermoState attribute) ln_ntot (exogibbs.api.equilibrium.EquilibriumInit attribute) (exogibbs.api.EquilibriumInit attribute) load_formula_matrix_reference_v3() (in module exogibbs.test.reference_data) load_JANAF_molecules() (in module exogibbs.io.load_data) load_JANAF_rawtxt() (in module exogibbs.io.load_data) load_molname_ykb4() (in module exogibbs.presets.ykb4)

M

max_iter (exogibbs.api.equilibrium.EquilibriumOptions attribute), [1] (exogibbs.api.EquilibriumOptions attribute), [1] metadata (exogibbs.api.ChemicalSetup attribute) (exogibbs.api.chemistry.ChemicalSetup attribute) (exogibbs.api.equilibrium.EquilibriumResult attribute) (exogibbs.api.EquilibriumResult attribute) minimize_gibbs_bwd() (in module exogibbs.optimize.minimize) minimize_gibbs_core() (in module exogibbs.optimize.minimize) minimize_gibbs_fwd() (in module exogibbs.optimize.minimize) module exogibbs exogibbs.api exogibbs.api.chemistry exogibbs.api.equilibrium exogibbs.equilibrium exogibbs.equilibrium.gibbs exogibbs.exogibbs_version exogibbs.io exogibbs.io.load_data exogibbs.optimize exogibbs.optimize.core exogibbs.optimize.minimize exogibbs.optimize.vjpgibbs exogibbs.presets exogibbs.presets.ykb4 exogibbs.test exogibbs.test.analytic_hcosystem exogibbs.test.analytic_hsystem exogibbs.test.generate_gibbs exogibbs.test.reference_data exogibbs.thermo exogibbs.thermo.stoichiometry exogibbs.utils exogibbs.utils.constants

N

n (exogibbs.api.equilibrium.EquilibriumResult attribute) (exogibbs.api.EquilibriumResult attribute) nh() (exogibbs.test.analytic_hsystem.HSystem method)

nh2() (exogibbs.test.analytic_hsystem.HSystem method) ntot (exogibbs.api.equilibrium.EquilibriumResult attribute) (exogibbs.api.EquilibriumResult attribute) ntotal() (exogibbs.test.analytic_hsystem.HSystem method)

P

parse_formula_with_charge() (in module exogibbs.thermo.stoichiometry)

parse_simple_formula() (in module exogibbs.thermo.stoichiometry) prepare_ykb4_setup() (in module exogibbs.presets.ykb4)

R

robust_temperature_range() (in module exogibbs.equilibrium.gibbs)

S

safe_xlogx_jvp() (in module exogibbs.equilibrium.gibbs) sanitize_formula() (in module exogibbs.thermo.stoichiometry)

solve_gibbs_iteration_equations() (in module exogibbs.optimize.minimize) species (exogibbs.api.ChemicalSetup attribute) (exogibbs.api.chemistry.ChemicalSetup attribute)

T

temperature (exogibbs.api.chemistry.ThermoState attribute) (exogibbs.api.ThermoState attribute) ThermoState (class in exogibbs.api) (class in exogibbs.api.chemistry) tree_flatten() (exogibbs.api.chemistry.ThermoState method) (exogibbs.api.equilibrium.EquilibriumResult method) (exogibbs.api.EquilibriumResult method) (exogibbs.api.ThermoState method)

tree_unflatten() (exogibbs.api.chemistry.ThermoState class method) (exogibbs.api.equilibrium.EquilibriumResult class method) (exogibbs.api.EquilibriumResult class method) (exogibbs.api.ThermoState class method)

U

update_all() (in module exogibbs.optimize.minimize)

V

vjp_elements() (in module exogibbs.optimize.vjpgibbs) vjp_pressure() (in module exogibbs.optimize.vjpgibbs)

vjp_temperature() (in module exogibbs.optimize.vjpgibbs) vmr_h() (exogibbs.test.analytic_hsystem.HSystem method) vmr_h2() (exogibbs.test.analytic_hsystem.HSystem method)

X

x (exogibbs.api.equilibrium.EquilibriumResult attribute) (exogibbs.api.EquilibriumResult attribute)