_update_rates_C() | InterfaceKinetics | |
_update_rates_phi() | InterfaceKinetics | |
_update_rates_T() | InterfaceKinetics | |
addReaction(shared_ptr< Reaction > r, bool resize=true) override | InterfaceKinetics | virtual |
addThermo(shared_ptr< ThermoPhase > thermo) override | InterfaceKinetics | virtual |
advanceCoverages(double tstep, double rtol=1.e-7, double atol=1.e-14, double maxStepSize=0, size_t maxSteps=20000, size_t maxErrTestFails=7) | InterfaceKinetics | |
applyEquilibriumConstants(double *rop) | InterfaceKinetics | protected |
assertDerivativesValid(const string &name) | InterfaceKinetics | protected |
calculateCompositionDerivatives(StoichManagerN &stoich, const vector< double > &in) | InterfaceKinetics | protected |
checkDuplicates(bool throw_err=true) const | Kinetics | virtual |
checkDuplicateStoich(map< int, double > &r1, 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 | |
checkReactionIndex(size_t m) const | Kinetics | |
checkSpeciesArraySize(size_t mm) const | Kinetics | |
checkSpeciesIndex(size_t k) const | Kinetics | |
creationRates_ddCi() | Kinetics | |
creationRates_ddX() | Kinetics | |
destructionRates_ddCi() | Kinetics | |
destructionRates_ddX() | Kinetics | |
fwdRatesOfProgress_ddCi() override | InterfaceKinetics | virtual |
fwdRatesOfProgress_ddX() | Kinetics | inlinevirtual |
getActivityConcentrations(double *const conc) override | InterfaceKinetics | virtual |
getCreationRates(double *cdot) | Kinetics | virtual |
getCreationRates_ddC(double *dwdot) | Kinetics | |
getCreationRates_ddP(double *dwdot) | Kinetics | |
getCreationRates_ddT(double *dwdot) | Kinetics | |
getDeltaElectrochemPotentials(double *deltaM) override | InterfaceKinetics | virtual |
getDeltaEnthalpy(double *deltaH) override | InterfaceKinetics | virtual |
getDeltaEntropy(double *deltaS) override | InterfaceKinetics | virtual |
getDeltaGibbs(double *deltaG) override | InterfaceKinetics | virtual |
getDeltaSSEnthalpy(double *deltaH) override | InterfaceKinetics | virtual |
getDeltaSSEntropy(double *deltaS) override | InterfaceKinetics | virtual |
getDeltaSSGibbs(double *deltaG) override | InterfaceKinetics | virtual |
getDerivativeSettings(AnyMap &settings) const override | InterfaceKinetics | virtual |
getDestructionRates(double *ddot) | Kinetics | virtual |
getDestructionRates_ddC(double *dwdot) | Kinetics | |
getDestructionRates_ddP(double *dwdot) | Kinetics | |
getDestructionRates_ddT(double *dwdot) | Kinetics | |
getEquilibriumConstants(double *kc) override | InterfaceKinetics | virtual |
getFwdRateConstants(double *kfwd) override | InterfaceKinetics | virtual |
getFwdRateConstants_ddC(double *dkfwd) | Kinetics | inlinevirtual |
getFwdRateConstants_ddP(double *dkfwd) | Kinetics | inlinevirtual |
getFwdRateConstants_ddT(double *dkfwd) | Kinetics | inlinevirtual |
getFwdRatesOfProgress(double *fwdROP) | Kinetics | virtual |
getFwdRatesOfProgress_ddC(double *drop) | Kinetics | inlinevirtual |
getFwdRatesOfProgress_ddP(double *drop) | Kinetics | inlinevirtual |
getFwdRatesOfProgress_ddT(double *drop) | Kinetics | inlinevirtual |
getNetProductionRates(double *wdot) | Kinetics | virtual |
getNetProductionRates_ddC(double *dwdot) | Kinetics | |
getNetProductionRates_ddP(double *dwdot) | Kinetics | |
getNetProductionRates_ddT(double *dwdot) | Kinetics | |
getNetRatesOfProgress(double *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(double *krev, bool doIrreversible=false) override | InterfaceKinetics | virtual |
getRevRatesOfProgress(double *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() override | InterfaceKinetics | virtual |
interfaceCurrent(const size_t iphase) | InterfaceKinetics | |
InterfaceKinetics()=default | InterfaceKinetics | |
invalidateCache() (defined in Kinetics) | Kinetics | inlinevirtual |
isReversible(size_t i) override | InterfaceKinetics | inlinevirtual |
Kinetics()=default | Kinetics | |
Kinetics(const Kinetics &)=delete | Kinetics | |
kineticsSpeciesIndex(size_t k, size_t n) const | Kinetics | inline |
kineticsSpeciesIndex(const string &nm) const | Kinetics | |
kineticsSpeciesName(size_t k) const | Kinetics | |
kineticsType() const override | InterfaceKinetics | inlinevirtual |
m_actConc | InterfaceKinetics | protected |
m_cache | Kinetics | protected |
m_conc | InterfaceKinetics | protected |
m_delta_gibbs0 | Kinetics | protected |
m_dH | Kinetics | protected |
m_grt | InterfaceKinetics | protected |
m_has_coverage_dependence | InterfaceKinetics | protected |
m_has_electrochemistry | InterfaceKinetics | protected |
m_hasUndeclaredThirdBodies | Kinetics | 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_jac_rtol_delta | InterfaceKinetics | protected |
m_jac_skip_coverage_dependence | InterfaceKinetics | protected |
m_jac_skip_electrochemistry | InterfaceKinetics | protected |
m_kk | Kinetics | 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_productStoich | Kinetics | protected |
m_rbuf | Kinetics | protected |
m_rbuf0 | InterfaceKinetics | protected |
m_rbuf1 (defined in InterfaceKinetics) | InterfaceKinetics | 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_rxnPhaseIsProduct | InterfaceKinetics | protected |
m_rxnPhaseIsReactant | InterfaceKinetics | protected |
m_skipUndeclaredSpecies | Kinetics | protected |
m_skipUndeclaredThirdBodies | Kinetics | protected |
m_start | Kinetics | protected |
m_stoichMatrix | Kinetics | protected |
m_surf | InterfaceKinetics | protected |
m_temp | InterfaceKinetics | protected |
m_thermo | Kinetics | protected |
modifyReaction(size_t i, shared_ptr< Reaction > rNew) override | InterfaceKinetics | virtual |
multiplier(size_t i) const | Kinetics | inline |
netProductionRates_ddCi() | Kinetics | |
netProductionRates_ddX() | Kinetics | |
netRatesOfProgress_ddCi() override | InterfaceKinetics | virtual |
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 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 |
reactantOrder(size_t k, size_t i) const | Kinetics | inlinevirtual |
reactantStoichCoeff(size_t k, size_t i) const | Kinetics | virtual |
reactantStoichCoeffs() const | Kinetics | inline |
reaction(size_t i) | Kinetics | |
reaction(size_t i) const (defined in Kinetics) | Kinetics | |
reactionPhase() const | Kinetics | |
reactionPhaseIndex() const | Kinetics | |
resizeReactions() override | InterfaceKinetics | virtual |
resizeSpecies() override | InterfaceKinetics | virtual |
revProductStoichCoeffs() const | Kinetics | inline |
revRatesOfProgress_ddCi() override | InterfaceKinetics | virtual |
revRatesOfProgress_ddX() | Kinetics | inlinevirtual |
root() const | Kinetics | inline |
setDerivativeSettings(const AnyMap &settings) override | InterfaceKinetics | virtual |
setElectricPotential(int n, double V) | InterfaceKinetics | |
setIOFlag(int ioFlag) (defined in InterfaceKinetics) | InterfaceKinetics | |
setMultiplier(size_t i, double f) override | InterfaceKinetics | virtual |
setPhaseExistence(const size_t iphase, const int exists) | InterfaceKinetics | |
setPhaseStability(const size_t iphase, const int isStable) | InterfaceKinetics | |
setRoot(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, double timeScaleOverride=1.0) | InterfaceKinetics | |
speciesPhase(const string &nm) | Kinetics | |
speciesPhase(const string &nm) const (defined in Kinetics) | Kinetics | |
speciesPhase(size_t k) | Kinetics | inline |
speciesPhaseIndex(size_t k) const | Kinetics | |
thermo(size_t n=0) | Kinetics | inline |
thermo(size_t n=0) const (defined in Kinetics) | Kinetics | inline |
thirdBodyConcentrations() const | Kinetics | inlinevirtual |
updateKc() | InterfaceKinetics | |
updateMu0() | InterfaceKinetics | virtual |
updateROP() override | InterfaceKinetics | virtual |
~InterfaceKinetics() override (defined in InterfaceKinetics) | InterfaceKinetics | |
~Kinetics()=default (defined in Kinetics) | Kinetics | virtual |