_update_rates_C() | InterfaceKinetics | |
_update_rates_phi() | InterfaceKinetics | |
_update_rates_T() | InterfaceKinetics | |
addPhase(ThermoPhase &thermo) | InterfaceKinetics | virtual |
addReaction(shared_ptr< Reaction > r, bool resize=true) | InterfaceKinetics | virtual |
advanceCoverages(doublereal tstep, double rtol=1.e-7, double atol=1.e-14, double maxStepSize=0, size_t maxSteps=20000, size_t maxErrTestFails=7) | InterfaceKinetics | |
applyStickingCorrection(double T, double *kf) (defined in InterfaceKinetics) | InterfaceKinetics | protected |
applyVoltageKfwdCorrection(doublereal *const kfwd) | InterfaceKinetics | |
buildSurfaceArrhenius(size_t i, InterfaceReaction2 &r, bool replace) | InterfaceKinetics | protected |
checkDuplicates(bool throw_err=true) const | Kinetics | virtual |
checkDuplicateStoich(std::map< int, double > &r1, std::map< int, double > &r2) const | Kinetics | protected |
checkPhaseArraySize(size_t mm) const | Kinetics | |
checkPhaseIndex(size_t m) const | Kinetics | |
checkReactionArraySize(size_t ii) const | Kinetics | |
checkReactionBalance(const Reaction &R) | Kinetics | protected |
checkReactionIndex(size_t m) const | Kinetics | |
checkSpeciesArraySize(size_t mm) const | Kinetics | |
checkSpeciesIndex(size_t k) const | Kinetics | |
convertExchangeCurrentDensityFormulation(doublereal *const kfwd) | InterfaceKinetics | |
creationRates_ddX() | Kinetics | |
deltaElectricEnergy_ | InterfaceKinetics | protected |
destructionRates_ddX() | Kinetics | |
EdgeKinetics() | EdgeKinetics | inline |
effectiveActivationEnergy_R(size_t irxn) | InterfaceKinetics | inline |
effectivePreExponentialFactor(size_t irxn) | InterfaceKinetics | inline |
effectiveTemperatureExponent(size_t irxn) | InterfaceKinetics | inline |
electrochem_beta(size_t irxn) const | InterfaceKinetics | |
fwdRatesOfProgress_ddX() | Kinetics | inlinevirtual |
getActivityConcentrations(doublereal *const conc) | InterfaceKinetics | virtual |
getCreationRates(doublereal *cdot) | Kinetics | virtual |
getCreationRates_ddC(double *dwdot) | Kinetics | |
getCreationRates_ddP(double *dwdot) | Kinetics | |
getCreationRates_ddT(double *dwdot) | Kinetics | |
getDeltaElectrochemPotentials(doublereal *deltaM) | InterfaceKinetics | virtual |
getDeltaEnthalpy(doublereal *deltaH) | InterfaceKinetics | virtual |
getDeltaEntropy(doublereal *deltaS) | InterfaceKinetics | virtual |
getDeltaGibbs(doublereal *deltaG) | InterfaceKinetics | virtual |
getDeltaSSEnthalpy(doublereal *deltaH) | InterfaceKinetics | virtual |
getDeltaSSEntropy(doublereal *deltaS) | InterfaceKinetics | virtual |
getDeltaSSGibbs(doublereal *deltaG) | InterfaceKinetics | virtual |
getDerivativeSettings(AnyMap &settings) const | Kinetics | inlinevirtual |
getDestructionRates(doublereal *ddot) | Kinetics | virtual |
getDestructionRates_ddC(double *dwdot) | Kinetics | |
getDestructionRates_ddP(double *dwdot) | Kinetics | |
getDestructionRates_ddT(double *dwdot) | Kinetics | |
getEquilibriumConstants(doublereal *kc) | InterfaceKinetics | virtual |
getFwdRateConstants(doublereal *kfwd) | InterfaceKinetics | virtual |
getFwdRateConstants_ddC(double *dkfwd) | Kinetics | inlinevirtual |
getFwdRateConstants_ddP(double *dkfwd) | Kinetics | inlinevirtual |
getFwdRateConstants_ddT(double *dkfwd) | Kinetics | inlinevirtual |
getFwdRatesOfProgress(doublereal *fwdROP) | Kinetics | virtual |
getFwdRatesOfProgress_ddC(double *drop) | Kinetics | inlinevirtual |
getFwdRatesOfProgress_ddP(double *drop) | Kinetics | inlinevirtual |
getFwdRatesOfProgress_ddT(double *drop) | Kinetics | inlinevirtual |
getNetProductionRates(doublereal *wdot) | Kinetics | virtual |
getNetProductionRates_ddC(double *dwdot) | Kinetics | |
getNetProductionRates_ddP(double *dwdot) | Kinetics | |
getNetProductionRates_ddT(double *dwdot) | Kinetics | |
getNetRatesOfProgress(doublereal *netROP) | Kinetics | virtual |
getNetRatesOfProgress_ddC(double *drop) | Kinetics | inlinevirtual |
getNetRatesOfProgress_ddP(double *drop) | Kinetics | inlinevirtual |
getNetRatesOfProgress_ddT(double *drop) | Kinetics | inlinevirtual |
getReactionDelta(const double *property, double *deltaProperty) const | Kinetics | virtual |
getRevRateConstants(doublereal *krev, bool doIrreversible=false) | InterfaceKinetics | virtual |
getRevRatesOfProgress(doublereal *revROP) | Kinetics | virtual |
getRevRatesOfProgress_ddC(double *drop) | Kinetics | inlinevirtual |
getRevRatesOfProgress_ddP(double *drop) | Kinetics | inlinevirtual |
getRevRatesOfProgress_ddT(double *drop) | Kinetics | inlinevirtual |
getRevReactionDelta(const double *g, double *dg) const | Kinetics | virtual |
getThirdBodyConcentrations(double *concm) | Kinetics | inlinevirtual |
init() | InterfaceKinetics | virtual |
InterfaceKinetics(ThermoPhase *thermo=0) | InterfaceKinetics | |
invalidateCache() (defined in Kinetics) | Kinetics | inlinevirtual |
isReversible(size_t i) | InterfaceKinetics | inlinevirtual |
Kinetics() | Kinetics | |
Kinetics(const Kinetics &)=delete | Kinetics | |
kineticsSpeciesIndex(size_t k, size_t n) const | Kinetics | inline |
kineticsSpeciesIndex(const std::string &nm) const | Kinetics | |
kineticsSpeciesIndex(const std::string &nm, const std::string &ph) const | Kinetics | |
kineticsSpeciesName(size_t k) const | Kinetics | |
kineticsType() const | EdgeKinetics | inlinevirtual |
m_actConc | InterfaceKinetics | protected |
m_beta | InterfaceKinetics | protected |
m_cache | Kinetics | protected |
m_conc | InterfaceKinetics | protected |
m_ctrxn | InterfaceKinetics | protected |
m_ctrxn_ecdf | InterfaceKinetics | protected |
m_delta_gibbs0 | Kinetics | protected |
m_deltaG | InterfaceKinetics | protected |
m_deltaG0 | InterfaceKinetics | protected |
m_dH | Kinetics | protected |
m_grt | InterfaceKinetics | protected |
m_has_coverage_dependence | InterfaceKinetics | protected |
m_has_electrochem_rxns | InterfaceKinetics | protected |
m_has_exchange_current_density_formulation | InterfaceKinetics | protected |
m_integrator | InterfaceKinetics | protected |
m_interfaceRates | InterfaceKinetics | protected |
m_interfaceTypes | InterfaceKinetics | protected |
m_ioFlag (defined in InterfaceKinetics) | InterfaceKinetics | protected |
m_irrev | InterfaceKinetics | protected |
m_kk | Kinetics | protected |
m_logtemp | InterfaceKinetics | protected |
m_mindim | Kinetics | protected |
m_mu | InterfaceKinetics | protected |
m_mu0 | InterfaceKinetics | protected |
m_mu0_Kc | InterfaceKinetics | protected |
m_nDim | InterfaceKinetics | protected |
m_perturb | Kinetics | protected |
m_phaseExists | InterfaceKinetics | protected |
m_phaseExistsCheck | InterfaceKinetics | protected |
m_phaseindex | Kinetics | protected |
m_phaseIsStable | InterfaceKinetics | protected |
m_phi | InterfaceKinetics | protected |
m_pot | InterfaceKinetics | protected |
m_ProdStanConcReac | InterfaceKinetics | protected |
m_productStoich | Kinetics | protected |
m_rates | InterfaceKinetics | protected |
m_rbuf | Kinetics | protected |
m_reactantStoich | Kinetics | protected |
m_reactions | Kinetics | protected |
m_ready | Kinetics | protected |
m_redo_rates (defined in InterfaceKinetics) | InterfaceKinetics | protected |
m_revindex | InterfaceKinetics | protected |
m_revProductStoich | Kinetics | protected |
m_rfn | Kinetics | protected |
m_rkcn | Kinetics | protected |
m_root | Kinetics | protected |
m_ROP_ok (defined in InterfaceKinetics) | InterfaceKinetics | protected |
m_ropf | Kinetics | protected |
m_ropnet | Kinetics | protected |
m_ropr | Kinetics | protected |
m_rxnphase | Kinetics | protected |
m_rxnPhaseIsProduct | InterfaceKinetics | protected |
m_rxnPhaseIsReactant | InterfaceKinetics | protected |
m_skipUndeclaredSpecies | Kinetics | protected |
m_skipUndeclaredThirdBodies | Kinetics | protected |
m_StandardConc | InterfaceKinetics | protected |
m_start | Kinetics | protected |
m_stickingData | InterfaceKinetics | protected |
m_stoichMatrix | Kinetics | protected |
m_surf | InterfaceKinetics | protected |
m_surfphase | Kinetics | protected |
m_temp | InterfaceKinetics | protected |
m_thermo | Kinetics | protected |
modifyReaction(size_t i, shared_ptr< Reaction > rNew) | InterfaceKinetics | virtual |
multiplier(size_t i) const | Kinetics | inline |
netProductionRates_ddX() | Kinetics | |
netRatesOfProgress_ddX() | Kinetics | inlinevirtual |
nPhases() const | Kinetics | inline |
nReactions() const | Kinetics | inline |
nTotalSpecies() const | Kinetics | inline |
operator=(const Kinetics &)=delete (defined in Kinetics) | Kinetics | |
parameters() | Kinetics | |
phaseExistence(const size_t iphase) const | InterfaceKinetics | |
phaseIndex(const std::string &ph) const | Kinetics | inline |
phaseStability(const size_t iphase) const | InterfaceKinetics | |
productOrder(int k, int i) const | Kinetics | inlinevirtual |
productStoichCoeff(size_t k, size_t i) const | Kinetics | virtual |
productStoichCoeffs() const | Kinetics | inline |
productString(size_t i) const | Kinetics | |
reactantOrder(size_t k, size_t i) const | Kinetics | inlinevirtual |
reactantStoichCoeff(size_t k, size_t i) const | Kinetics | virtual |
reactantStoichCoeffs() const | Kinetics | inline |
reactantString(size_t i) const | Kinetics | |
reaction(size_t i) | Kinetics | |
reaction(size_t i) const (defined in Kinetics) | Kinetics | |
reactionEnthalpy(const Composition &reactants, const Composition &products) | Kinetics | virtual |
reactionPhaseIndex() const | Kinetics | inline |
reactionString(size_t i) const | Kinetics | |
reactionType(size_t i) const | Kinetics | virtual |
reactionTypeStr(size_t i) const | Kinetics | virtual |
resizeReactions() | InterfaceKinetics | virtual |
resizeSpecies() | InterfaceKinetics | virtual |
revProductStoichCoeffs() const | Kinetics | inline |
revRatesOfProgress_ddX() | Kinetics | inlinevirtual |
selectPhase(const double *data, const ThermoPhase *phase, double *phase_data) | Kinetics | |
setDerivativeSettings(const AnyMap &settings) | Kinetics | inlinevirtual |
setElectricPotential(int n, doublereal V) | InterfaceKinetics | |
setIOFlag(int ioFlag) (defined in InterfaceKinetics) | InterfaceKinetics | |
setMultiplier(size_t i, doublereal f) | Kinetics | inlinevirtual |
setPhaseExistence(const size_t iphase, const int exists) | InterfaceKinetics | |
setPhaseStability(const size_t iphase, const int isStable) | InterfaceKinetics | |
setRoot(std::shared_ptr< Solution > root) | Kinetics | inlinevirtual |
skipUndeclaredSpecies(bool skip) | Kinetics | inline |
skipUndeclaredSpecies() const (defined in Kinetics) | Kinetics | inline |
skipUndeclaredThirdBodies(bool skip) | Kinetics | inline |
skipUndeclaredThirdBodies() const (defined in Kinetics) | Kinetics | inline |
solvePseudoSteadyStateProblem(int ifuncOverride=-1, doublereal timeScaleOverride=1.0) | InterfaceKinetics | |
speciesPhase(const std::string &nm) | Kinetics | |
speciesPhase(const std::string &nm) const (defined in Kinetics) | Kinetics | |
speciesPhase(size_t k) | Kinetics | inline |
speciesPhaseIndex(size_t k) const | Kinetics | |
surfacePhaseIndex() const | Kinetics | inline |
thermo(size_t n=0) | Kinetics | inline |
thermo(size_t n=0) const (defined in Kinetics) | Kinetics | inline |
thirdBodyConcentrations() const | Kinetics | inlinevirtual |
updateExchangeCurrentQuantities() | InterfaceKinetics | |
updateKc() | InterfaceKinetics | |
updateMu0() | InterfaceKinetics | virtual |
updateROP() | InterfaceKinetics | virtual |
~InterfaceKinetics() (defined in InterfaceKinetics) | InterfaceKinetics | virtual |
~Kinetics() (defined in Kinetics) | Kinetics | virtual |