| Cantera 3.0.0

Loading...
Searching...
No Matches
Classes | Typedefs | Enumerations | Functions | Variables
Cantera Namespace Reference

## Detailed Description

Namespace for the Cantera kernel.

## Classes
class | AdaptivePreconditioner
| AdaptivePreconditioner a preconditioner designed for use with large mechanisms that leverages sparse solvers. More...
class | AnyBase
| Base class defining common data possessed by both AnyMap and AnyValue objects. More...
class | AnyMap
| A map of string keys to values whose type can vary at runtime. More...
class | AnyValue
| A wrapper for a variable whose type is determined at runtime. More...
class | Application
| Class to hold global data. More...
class | Array2D
| A class for 2D arrays stored in column-major (Fortran-compatible) form. More...
class | ArraySizeError
| Array size error. More...
class | Arrhenius1
| Implements a sum of Arrhenius terms. More...
class | ArrheniusBase
| Base class for Arrhenius-type Parameterizations. More...
struct | ArrheniusData
| Data container holding shared data specific to ArrheniusRate. More...
class | ArrheniusRate
| Arrhenius reaction rate type depends only on temperature. More...
struct | atomicWeightData
| Database for atomic weights. More...
class | BandMatrix
| A class for banded matrices, involving matrix inversion processes. More...
class | BinarySolutionTabulatedThermo
| Overloads the virtual methods of class IdealSolidSolnPhase to implement tabulated standard state thermodynamics for one species in a binary solution. More...
struct | BlowersMaselData
| Data container holding shared data specific to BlowersMaselRate. More...
class | BlowersMaselRate
| Blowers Masel reaction rate type depends on the enthalpy of reaction. More...
class | Boundary1D
| The base class for boundaries between one-dimensional spatial domains. More...
class | BulkKinetics
| Specialization of Kinetics for chemistry in a single bulk phase. More...
class | C1
| Handles one species in a reaction. More...
class | C2
| Handles two species in a single reaction. More...
class | C3
| Handles three species in a reaction. More...
class | C_AnyN
| Handles any number of species in a reaction, including fractional stoichiometric coefficients, and arbitrary reaction orders. More...
struct | CachedValue
| A cached property value and the state at which it was evaluated. More...
class | CanteraError
| Base class for exceptions thrown by Cantera classes. More...
struct | ChebyshevData
| Data container holding shared data specific to ChebyshevRate. More...
class | ChebyshevRate
| Pressure-dependent rate expression where the rate coefficient is expressed as a bivariate Chebyshev polynomial in temperature and pressure. More...
class | ChemEquil
| Class ChemEquil implements a chemical equilibrium solver for single-phase solutions. More...
class | clockWC
| The class provides the wall clock timer in seconds. More...
class | Composite1
| Implements a composite function. More...
class | Const1
| Implements a constant. More...
class | ConstCpPoly
| A constant-heat capacity species thermodynamic property manager class. More...
class | ConstPressureMoleReactor
| ConstPressureMoleReactor is a class for constant-pressure reactors which use a state of moles. More...
class | ConstPressureReactor
| Class ConstPressureReactor is a class for constant-pressure reactors. More...
class | Cos1
| Implements the `cos()` function. More...
class | CoverageDependentSurfPhase
| A thermodynamic model for a coverage-dependent surface phase, applying surface species lateral interaction correction factors to the ideal surface phase properties. More...
class | CustomFunc1Rate
| Custom reaction rate depending only on temperature. More...
class | CVodesIntegrator
| Wrapper class for 'cvodes' integrator from LLNL. More...
class | DebyeHuckel
| Class DebyeHuckel represents a dilute liquid electrolyte phase which obeys the Debye Huckel formulation for nonideality. More...
class | Delegator
| Delegate member functions of a C++ class to externally-specified functions. More...
class | DenseMatrix
| A class for full (non-sparse) matrices with Fortran-compatible data storage, which adds matrix operations to class Array2D. More...
class | Diff1
| Implements the difference of two functions. More...
class | Domain1D
| Base class for one-dimensional domains. More...
class | DomainFactory
| Factory class to create domain objects. More...
class | DustyGasTransport
| Class DustyGasTransport implements the Dusty Gas model for transport in porous media. More...
class | EdgeKinetics
| Heterogeneous reactions at one-dimensional interfaces between multiple adjacent two-dimensional surfaces. More...
class | EdgePhase
| A thermodynamic phase representing a one dimensional edge between two surfaces. More...
class | Empty1D
| A terminator that does nothing. More...
class | EquilOpt
| Chemical equilibrium options. More...
class | Exp1
| Implements the `exp()` (exponential) function. More...
class | ExtensionManager
| Base class for managing user-defined Cantera extensions written in other languages. More...
class | ExtensionManagerFactory
| A factory class for creating ExtensionManager objects. More...
class | ExternalHandle
| A base class for managing the lifetime of an external object, such as a Python object used by a Delegator. More...
class | ExternalLogger
| Logger that delegates to an external source via a callback to produce log output. More...
class | Factory
| Factory class that supports registering functions to create objects. More...
class | FactoryBase
| Base class for factories. More...
struct | FalloffData
| Data container holding shared data specific to Falloff rates. More...
class | FalloffRate
| Base class for falloff rate calculators. More...
class | FalloffReaction
| A falloff reaction that is first-order in [M] at low pressure, like a third-body reaction, but zeroth-order in [M] as pressure increases. More...
class | FlowDevice
| Base class for 'flow devices' (valves, pressure regulators, etc.) connecting reactors. More...
class | FlowDeviceFactory
| Factory class to create FlowDevice objects. More...
class | FlowReactor
| Adiabatic flow in a constant-area duct with homogeneous and heterogeneous reactions. More...
class | Fourier1
| Implements a Fourier cosine/sine series. More...
class | Func1
| Base class for 'functor' classes that evaluate a function of one variable. More...
class | Func1Factory
| Factory class to create Func1 objects. More...
class | FuncEval
| Virtual base class for ODE/DAE right-hand-side function evaluators. More...
class | GasKinetics
| Kinetics manager for elementary gas-phase chemistry. More...
class | GasTransport
| Class GasTransport implements some functions and properties that are shared by the MixTransport and MultiTransport classes. More...
class | GasTransportData
| Transport data for a single gas-phase species which can be used in mixture-averaged or multicomponent transport models. More...
class | Gaussian
| A Gaussian. More...
class | Gaussian1
| Implements a Gaussian function. More...
class | GeneralMatrix
| Generic matrix. More...
class | GibbsExcessVPSSTP
| GibbsExcessVPSSTP is a derived class of ThermoPhase that handles variable pressure standard state methods for calculating thermodynamic properties that are further based on expressing the Excess Gibbs free energy as a function of the mole fractions (or pseudo mole fractions) of constituents. More...
class | Group
| Class Group is an internal class used by class ReactionPath. More...
class | HighPressureGasTransport
| Class MultiTransport implements transport properties for high pressure gas mixtures. More...
class | HMWSoln
| Class HMWSoln represents a dilute or concentrated liquid electrolyte phase which obeys the Pitzer formulation for nonideality. More...
class | IdasIntegrator
| Wrapper for Sundials IDAS solver. More...
class | IdealGasConstPressureMoleReactor
| IdealGasConstPressureMoleReactor is a class for ideal gas constant-pressure reactors which use a state of moles. More...
class | IdealGasConstPressureReactor
| Class ConstPressureReactor is a class for constant-pressure reactors. More...
class | IdealGasMoleReactor
| IdealGasMoleReactor is a class for ideal gas constant-volume reactors which use a state of moles. More...
class | IdealGasPhase
| Class IdealGasPhase represents low-density gases that obey the ideal gas equation of state. More...
class | IdealGasReactor
| Class IdealGasReactor is a class for stirred reactors that is specifically optimized for ideal gases. More...
class | IdealMolalSoln
| This phase is based upon the mixing-rule assumption that all molality-based activity coefficients are equal to one. More...
class | IdealSolidSolnPhase
| Class IdealSolidSolnPhase represents a condensed phase ideal solution compound. More...
class | IdealSolnGasVPSS
| An ideal solution approximation of a phase. More...
class | ImplicitSurfChem
| Advances the surface coverages of the associated set of SurfacePhase objects in time. More...
class | IndexError
| An array index is out of range. More...
class | Inlet1D
| An inlet. More...
class | InputFileError
| Error thrown for problems processing information contained in an AnyMap or AnyValue. More...
class | Integrator
| Abstract base class for ODE system integrators. More...
class | Interface
| A container class for chemically-reacting interfaces. More...
struct | InterfaceData
| Data container holding shared data for reaction rate specification with interfaces. More...
class | InterfaceKinetics
| A kinetics manager for heterogeneous reaction mechanisms. More...
class | InterfaceRate
| A class template for interface reaction rate specifications. More...
class | InterfaceRateBase
| Base class for rate parameterizations that involve interfaces. More...
class | IonFlow
| This class models the ion transportation in a flame. More...
class | IonGasTransport
| Class IonGasTransport implements Stockmayer-(n,6,4) model for transport of ions. More...
class | IonsFromNeutralVPSSTP
| The IonsFromNeutralVPSSTP is a derived class of ThermoPhase that handles the specification of the chemical potentials for ionic species, given a specification of the chemical potentials for the same phase expressed in terms of combinations of the ionic species that represent neutral molecules. More...
struct | isotopeWeightData
| Database for named isotopic weights. More...
class | Kinetics
| Public interface for kinetics managers. More...
class | KineticsFactory
| Factory for kinetics managers. More...
class | LatticePhase
| A simple thermodynamic model for a bulk phase, assuming a lattice of solid atoms. More...
class | LatticeSolidPhase
| A phase that is comprised of a fixed additive combination of other lattice phases. More...
class | LindemannRate
| The Lindemann falloff parameterization. More...
class | Log1
| Implements the `log()` (natural logarithm) function. More...
class | Logger
| Base class for 'loggers' that write text messages to log files. More...
class | MargulesVPSSTP
| MargulesVPSSTP is a derived class of GibbsExcessVPSSTP that employs the Margules approximation for the excess Gibbs free energy. More...
class | MaskellSolidSolnPhase
| Class MaskellSolidSolnPhase represents a condensed phase non-ideal solution with 2 species following the thermodynamic model described in Maskell, Shaw, and Tye, Manganese Dioxide Electrode – IX, Electrochimica Acta 28(2) pp 231-235, 1983. More...
class | MassFlowController
| A class for mass flow controllers. More...
class | Math1FactoryA
| Factory class to create Func1 compound objects - version A. More...
class | Math1FactoryB
| Factory class to create Func1 compound objects - version B. More...
class | MetalPhase
| Class MetalPhase represents electrons in a metal. More...
class | MixTransport
| Class MixTransport implements mixture-averaged transport properties for ideal gas mixtures. More...
class | MixtureFugacityTP
| This is a filter class for ThermoPhase that implements some preparatory steps for efficiently handling mixture of gases that whose standard states are defined as ideal gases, but which describe also non-ideal solutions. More...
class | MMCollisionInt
| Calculation of Collision integrals. More...
class | MolalityVPSSTP
| MolalityVPSSTP is a derived class of ThermoPhase that handles variable pressure standard state methods for calculating thermodynamic properties that are further based on molality-scaled activities. More...
class | MoleReactor
| MoleReactor is meant to serve the same purpose as the reactor class but with a state vector composed of moles. More...
class | Mu0Poly
| The Mu0Poly class implements an interpolation of the Gibbs free energy based on a piecewise constant heat capacity approximation. More...
class | MultiJac
| Class MultiJac evaluates the Jacobian of a system of equations defined by a residual function supplied by an instance of class OneDim. More...
class | MultiNewton
| Newton iterator for multi-domain, one-dimensional problems. More...
class | MultiPhase
| A class for multiphase mixtures. More...
class | MultiPhaseEquil
| Multiphase chemical equilibrium solver. More...
class | MultiRate
| A class template handling ReactionRate specializations. More...
class | MultiRateBase
| An abstract base class for evaluating all reactions of a particular type. More...
class | MultiSpeciesThermo
| A species thermodynamic property manager for a phase. More...
class | MultiTransport
| Class MultiTransport implements multicomponent transport properties for ideal gas mixtures. More...
class | Nasa9Poly1
| The NASA 9 polynomial parameterization for one temperature range. More...
class | Nasa9PolyMultiTempRegion
| The NASA 9 polynomial parameterization for a single species encompassing multiple temperature regions. More...
class | NasaPoly1
| The NASA polynomial parameterization for one temperature range. More...
class | NasaPoly2
| The NASA polynomial parameterization for two temperature ranges. More...
class | NoExitLogger
| Logger that doesn't exit when an error is thrown. More...
class | NotImplementedError
| An error indicating that an unimplemented function has been called. More...
class | OneDim
| Container class for multiple-domain 1D problems. More...
class | Outlet1D
| An outlet. More...
class | OutletRes1D
| An outlet with specified composition. More...
class | PDSS
| Virtual base class for a species with a pressure dependent standard state. More...
class | PDSS_ConstVol
| Class for pressure dependent standard states that use a constant volume model. More...
class | PDSS_HKFT
| Class for pressure dependent standard states corresponding to ionic solutes in electrolyte water. More...
class | PDSS_IdealGas
| Derived class for pressure dependent standard states of an ideal gas species. More...
class | PDSS_IonsFromNeutral
| Derived class for pressure dependent standard states of an ideal gas species. More...
class | PDSS_Molar
| Base class for PDSS classes which compute molar properties directly. More...
class | PDSS_Nondimensional
| Base class for PDSS classes which compute nondimensional properties directly. More...
class | PDSS_SSVol
| Class for pressure dependent standard states that uses a standard state volume model of some sort. More...
class | PDSS_Water
| Class for the liquid water pressure dependent standard state. More...
class | PengRobinson
| Implementation of a multi-species Peng-Robinson equation of state. More...
class | Periodic1
| Implements a periodic function. More...
class | Phase
| Class Phase is the base class for phases of matter, managing the species and elements in a phase, as well as the independent variables of temperature, mass density (compressible substances) or pressure (incompressible substances), species mass/mole fraction, and other generalized forces and intrinsic properties (such as electric potential) that define the thermodynamic state. More...
class | PlasmaPhase
| Base class for a phase with plasma properties. More...
struct | PlogData
| Data container holding shared data specific to PlogRate. More...
class | PlogRate
| Pressure-dependent reaction rate expressed by logarithmically interpolating between Arrhenius rate expressions at various pressures. More...
class | PlusConstant1
| Implements the sum of a function and a constant. More...
class | Poly1
| Implements a polynomial of degree n. More...
class | Pow1
| Implements the `pow()` (power) function. More...
class | PreconditionerBase
| PreconditionerBase serves as an abstract type to extend different preconditioners. More...
class | PreconditionerFactory
| Factory class to create preconditioner objects. More...
class | PressureController
| A class for flow controllers where the flow rate is equal to the flow rate of a primary mass flow controller plus a correction proportional to the pressure difference between the inlet and outlet. More...
class | Product1
| Implements the product of two functions. More...
class | PureFluidPhase
| This phase object consists of a single component that can be a gas, a liquid, a mixed gas-liquid fluid, or a fluid beyond its critical point. More...
class | PythonExtensionManager
| Class for managing user-defined Cantera extensions written in Python. More...
class | PythonHandle
| Class that holds an owned or weak (borrowed) reference to a Python object. More...
class | Ratio1
| Implements the ratio of two functions. More...
class | ReactingSurf1D
| A reacting surface. More...
class | Reaction
| Abstract base class which stores data about a reaction and its rate parameterization so that it can be added to a Kinetics object. More...
struct | ReactionData
| Data container holding shared data used for ReactionRate calculation. More...
class | ReactionDataDelegator
| Delegate methods of the ReactionData class to external functions. More...
class | ReactionPathDiagram
| Reaction path diagrams (graphs). More...
class | ReactionRate
| Abstract base class for reaction rate definitions; this base class is used by user-facing APIs to access reaction rate objects. More...
class | ReactionRateDelegator
| Delegate methods of the ReactionRate class to external functions. More...
class | ReactionRateFactory
| Factory class to construct reaction rate calculators. More...
class | Reactor
| Class Reactor is a general-purpose class for stirred reactors. More...
class | ReactorAccessor
| An abstract base class for providing access to protected capabilities Reactor objects from delegate methods, which would normally only be able to access public Reactor members. More...
class | ReactorBase
| Base class for stirred reactors. More...
class | ReactorDelegator
| Delegate methods of the Reactor class to external functions. More...
class | ReactorFactory
| Factory class to create reactor objects. More...
class | ReactorNet
| A class representing a network of connected reactors. More...
class | ReactorSurface
| A surface where reactions can occur that is in contact with the bulk fluid of a Reactor. More...
class | RedlichKisterVPSSTP
| RedlichKisterVPSSTP is a derived class of GibbsExcessVPSSTP that employs the Redlich-Kister approximation for the excess Gibbs free energy. More...
class | RedlichKwongMFTP
| Implementation of a multi-species Redlich-Kwong equation of state. More...
class | Refiner
| Refine Domain1D grids so that profiles satisfy adaptation tolerances. More...
class | Reservoir
| A source or sink whose state remains constant regardless of any flows or other interactions with other Reactor objects. More...
class | ResidEval
| Virtual base class for DAE residual function evaluators. More...
class | ResidJacEval
| Wrappers for the function evaluators for Nonlinear solvers and Time steppers. More...
class | ShomatePoly
| The Shomate polynomial parameterization for one temperature range for one species. More...
class | ShomatePoly2
| The Shomate polynomial parameterization for two temperature ranges for one species. More...
class | Sim1D
| One-dimensional simulations. More...
class | Sin1
| Implements the `sin()` function. More...
class | SingleSpeciesTP
| The SingleSpeciesTP class is a filter class for ThermoPhase. More...
class | Solution
| A container class for chemically-reacting solutions. More...
class | SolutionArray
| A container class holding arrays of state information. More...
class | solveSP
| Method to solve a pseudo steady state surface problem. More...
class | Species
| Contains data about a single chemical species. More...
class | SpeciesNode
| Nodes in reaction path graphs. More...
class | SpeciesThermoInterpType
| Abstract Base class for the thermodynamic manager for an individual species' reference state. More...
class | SriRate
| The SRI falloff function. More...
class | StFlow
| This class represents 1D flow domains that satisfy the one-dimensional similarity solution for chemically-reacting, axisymmetric flows. More...
class | StickingCoverage
| Base class for rate parameterizations that implement sticking coefficients. More...
class | StickingRate
| A class template for interface sticking rate specifications. More...
class | StoichManagerN
| This class handles operations involving the stoichiometric coefficients on one side of a reaction (reactant or product) for a set of reactions comprising a reaction mechanism. More...
class | StoichSubstance
| Class StoichSubstance represents a stoichiometric (fixed composition) incompressible substance. More...
class | Storage
| A wrapper class handling storage to HDF. More...
class | Sum1
| Implements the sum of two functions. More...
class | SundialsContext
| A wrapper for managing a SUNContext object, need for Sundials >= 6.0. More...
class | Surf1D
| A non-reacting surface. More...
class | SurfPhase
| A simple thermodynamic model for a surface phase, assuming an ideal solution model. More...
class | Symm1D
| A symmetry plane. More...
class | Tabulated1
| Implements a tabulated function. More...
class | ThermoFactory
| Factory class for thermodynamic property managers. More...
class | ThermoPhase
| Base class for a phase with thermodynamic properties. More...
class | ThirdBody
| A class for managing third-body efficiencies, including default values. More...
class | ThirdBodyCalc
| Calculate and apply third-body effects on reaction rates, including non- unity third-body efficiencies. More...
class | ThreeBodyReaction
| A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting species. More...
class | TimesConstant1
| Implements the product of a function and a constant. More...
class | Transport
| Base class for transport property managers. More...
class | TransportData
| Base class for transport data for a single species. More...
class | TransportFactory
| Factory class for creating new instances of classes derived from Transport. More...
class | TroeRate
| The 3- or 4-parameter Troe falloff parameterization. More...
class | TsangRate
| The 1- or 2-parameter Tsang falloff parameterization. More...
struct | TwoTempPlasmaData
| Data container holding shared data specific to TwoTempPlasmaRate. More...
class | TwoTempPlasmaRate
| Two temperature plasma reaction rate type depends on both gas temperature and electron temperature. More...
class | Units
| A representation of the units associated with a dimensional quantity. More...
struct | UnitStack
| Unit aggregation utility. More...
class | UnitSystem
| Unit conversion utility. More...
class | UnityLewisTransport
| Class UnityLewisTransport implements the unity Lewis number approximation for the mixture-averaged species diffusion coefficients. More...
class | ValueCache
| Storage for cached values. More...
class | Valve
| Supply a mass flow rate that is a function of the pressure drop across the valve. More...
class | VCS_COUNTERS
| Class to keep track of time and iterations. More...
class | vcs_MultiPhaseEquil
| Cantera's Interface to the Multiphase chemical equilibrium solver. More...
class | VCS_SOLVE
| This is the main structure used to hold the internal data used in vcs_solve_TP(), and to solve TP systems. More...
class | VCS_SPECIES_THERMO
| Identifies the thermo model for the species. More...
class | vcs_SpeciesProperties
| Properties of a single species. More...
class | vcs_VolPhase
| Phase information and Phase calculations for vcs. More...
class | VPStandardStateTP
| This is a filter class for ThermoPhase that implements some preparatory steps for efficiently handling a variable pressure standard state for species. More...
class | Wall
| Represents a wall between between two ReactorBase objects. More...
class | WallBase
| Base class for 'walls' (walls, pistons, etc.) connecting reactors. More...
class | WallFactory
| Factory class to create WallBase objects. More...
class | WaterProps
| The WaterProps class is used to house several approximation routines for properties of water. More...
class | WaterPropsIAPWS
| Class for calculating the equation of state of water. More...
class | WaterPropsIAPWSphi
| Low level class for the real description of water. More...
class | WaterSSTP
| Class for single-component water. More...
class | WaterTransport
| Transport Parameters for pure water. More...
class | YamlWriter
| A class for generating full YAML input files from multiple data sources. More...

## Typedefs
typedef map< string, double > | compositionMap
| Map connecting a string name with a double.
typedef map< string, double > | Composition
| Map from string names to doubles.
typedef vector< double > | vector_fp
| Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
typedef vector< int > | vector_int
| Vector of ints.
typedef CachedValue< double > & | CachedScalar
typedef CachedValue< vector< double > > & | CachedArray
typedef double(* | VCS_FUNC_PTR) (double xval, double Vtarget, int varID, void *fptrPassthrough, int *err)
| Definition of the function pointer for the root finder.
typedef FalloffRate | Falloff
typedef LindemannRate | Lindemann
typedef TroeRate | Troe
typedef SriRate | SRI
typedef TsangRate | Tsang
using | InterfaceArrheniusRate = InterfaceRate< ArrheniusRate, InterfaceData >
| Arrhenius-type interface reaction rate specifications.
using | InterfaceBlowersMaselRate = InterfaceRate< BlowersMaselRate, InterfaceData >
| Blowers-Masel-type interface reaction rate specifications.
using | StickingArrheniusRate = StickingRate< ArrheniusRate, InterfaceData >
| Arrhenius-type interface sticking rate specifications.
using | StickingBlowersMaselRate = StickingRate< BlowersMaselRate, InterfaceData >
| Blowers-Masel-type interface sticking rate specifications.
using | ThreeBodyReaction3 = ThreeBodyReaction
using | FalloffReaction3 = FalloffReaction
using | ThirdBodyCalc3 = ThirdBodyCalc
typedef Eigen::Map< Eigen::MatrixXd > | MappedMatrix
typedef Eigen::Map< const Eigen::MatrixXd > | ConstMappedMatrix
typedef Eigen::Map< Eigen::VectorXd > | MappedVector
typedef Eigen::Map< const Eigen::VectorXd > | ConstMappedVector
typedef Eigen::Map< Eigen::RowVectorXd > | MappedRowVector
typedef Eigen::Map< const Eigen::RowVectorXd > | ConstMappedRowVector
typedef std::vector< Eigen::Triplet< double > > | SparseTriplets
typedef int | VelocityBasis
| The diffusion fluxes must be referenced to a particular reference fluid velocity.

## Enumerations
enum | flow_t { NetFlow , OneWayFlow }
enum | MethodType { BDF_Method , Adams_Method }
| Specifies the method used to integrate the system of equations. More...
enum | IterType { Newton_Iter , Functional_Iter }
| Specifies the method used for iteration. More...
enum class | PreconditionerSide { NO_PRECONDITION , LEFT_PRECONDITION , RIGHT_PRECONDITION , BOTH_PRECONDITION }
| Specifies the side of the system on which the preconditioner is applied. More...
enum | ResidEval_Type_Enum { Base_ResidEval = 0 , JacBase_ResidEval , JacDelta_ResidEval , Base_ShowSolution , Base_LaggedSolutionComponents }
| Differentiates the type of residual evaluations according to functionality. More...
enum | offset { c_offset_U , c_offset_V , c_offset_T , c_offset_L , c_offset_E , c_offset_Y }
| Offsets of solution components in the 1D solution array. More...
enum | IonSolnType_enumType { cIonSolnType_PASSTHROUGH = 2000 , cIonSolnType_SINGLEANION , cIonSolnType_SINGLECATION , cIonSolnType_MULTICATIONANION }
| enums for molten salt ion solution types More...
enum class | ThermoBasis { mass , molar }
| Differentiate between mole fractions and mass fractions for input mixture composition. More...
enum class | SensParameterType { reaction , enthalpy }

## Functions
bool | operator== (const string &lhs, const AnyValue &rhs)
bool | operator!= (const string &lhs, const AnyValue &rhs)
bool | operator== (const double &lhs, const AnyValue &rhs)
bool | operator!= (const double &lhs, const AnyValue &rhs)
bool | operator== (const long int &lhs, const AnyValue &rhs)
bool | operator!= (const long int &lhs, const AnyValue &rhs)
bool | operator== (const int &lhs, const AnyValue &rhs)
bool | operator!= (const int &lhs, const AnyValue &rhs)
AnyMap::Iterator | begin (const AnyValue &v)
AnyMap::Iterator | end (const AnyValue &v)
void | warn_deprecated (const string &source, const AnyBase &node, const string &message)
| A deprecation warning for syntax in an input file.
std::ostream & | operator<< (std::ostream &s, const Array2D &m)
| Output the current contents of the Array2D object.
void | operator*= (Array2D &m, double a)
| Overload the times equals operator for multiplication of a matrix and a scalar.
void | checkFinite (const double tmp)
| Check to see that a number is finite (not NaN, +Inf or -Inf)
void | checkFinite (const string &name, double *values, size_t N)
| Check to see that all elements in an array are finite.
static Application * | app ()
| Return a pointer to the application object.
void | setLogger (Logger *logwriter)
| Install a logger.
void | writelog_direct (const string &msg)
| Write a message to the screen.
void | writelogendl ()
| Write an end of line character to the screen and flush output.
void | writeline (char repeat, size_t count, bool endl_after, bool endl_before)
void | _warn_deprecated (const string &method, const string &extra)
void | _warn (const string &warning, const string &method, const string &extra)
void | use_legacy_rate_constants (bool legacy=true)
| Set definition used for rate constant calculation.
bool | legacy_rate_constants_used ()
| Returns `true` if legacy rate constant definition is used.
void | printStackTraceOnSegfault ()
| Enables printing a stacktrace to `std::err` if a segfault occurs.
void | appdelete ()
| Delete and free all memory associated with the application.
void | thread_complete ()
| Delete and free memory allocated per thread in multithreaded applications.
void | addDirectory (const string &dir)
| Add a directory to the data file search path.
string | getDataDirectories (const string &sep)
| Get the Cantera data directories.
string | findInputFile (const string &name)
| Find an input file.
void | loadExtension (const string &extType, const string &name)
| Load an extension implementing user-defined models.
void | loadExtensions (const AnyMap &node)
| Load extensions providing user-defined models from the `extensions` section of the given node.
void | searchPythonVersions (const string &versions)
| Set the versions of Python to try when loading user-defined extensions, in order of preference.
bool | debugModeEnabled ()
| Returns true if Cantera was compiled in debug mode.
bool | usesHDF5 ()
| Returns true if Cantera was compiled with C++ `HDF5` support.
string | demangle (const std::type_info &type)
| Convert a type name to a human readable string, using `boost::core::demangle` if available.
shared_ptr< Interface > | newInterface (const string &infile, const string &name="", const vector< string > &adjacent={})
| Create and initialize a new Interface from an input file.
shared_ptr< Interface > | newInterface (const string &infile, const string &name, const vector< shared_ptr< Solution > > &adjacent)
| Create and initialize a new Interface from an input file.
shared_ptr< Interface > | newInterface (AnyMap &phaseNode, const AnyMap &rootNode=AnyMap(), const vector< shared_ptr< Solution > > &adjacent={})
| Create and initialize a new Interface from AnyMap objects.
shared_ptr< Solution > | newSolution (const string &infile, const string &name="", const string &transport="", const vector< shared_ptr< Solution > > &adjacent={})
| Create and initialize a new Solution manager from an input file.
shared_ptr< Solution > | newSolution (const string &infile, const string &name, const string &transport, const vector< string > &adjacent)
| Create and initialize a new Solution from an input file.
shared_ptr< Solution > | newSolution (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap(), const string &transport="", const vector< shared_ptr< Solution > > &adjacent={}, const map< string, shared_ptr< Solution > > &related={})
| Create and initialize a new Solution manager from AnyMap objects.
bool | isSimpleVector (const AnyValue &any)
AnyMap | preamble (const string &desc)
AnyMap & | openField (AnyMap &root, const string &name)
const AnyMap & | locateField (const AnyMap &root, const string &name)
string | getName (const set< string > &names, const string &name)
string | vec2str (const vector< double > &v, const string &fmt="%g", const string &sep=", ")
| Convert a vector to a string (separated by commas)
string | stripnonprint (const string &s)
| Strip non-printing characters wherever they are.
Composition | parseCompString (const string &ss, const vector< string > &names=vector< string >())
| Parse a composition string into a map consisting of individual key:composition pairs.
double | fpValue (const string &val)
| Translate a string into one double value.
double | fpValueCheck (const string &val)
| Translate a string into one double value, with error checking.
void | tokenizeString (const string &oval, vector< string > &v)
| This function separates a string up into tokens according to the location of white space.
void | tokenizePath (const string &oval, vector< string > &v)
| This function separates a string up into tokens according to the location of path separators.
size_t | copyString (const string &source, char *dest, size_t length)
| Copy the contents of a string into a char array of a given length.
string | trimCopy (const string &input)
| Trim.
string | toLowerCopy (const string &input)
| Convert to lower case.
bool | caseInsensitiveEquals (const string &input, const string &test)
| Case insensitive equality predicate.
static pair< double, string > | split_unit (const AnyValue &v)
size_t | BasisOptimize (int *usedZeroedSpecies, bool doFormRxn, MultiPhase *mphase, vector< size_t > &orderVectorSpecies, vector< size_t > &orderVectorElements, vector< double > &formRxnMatrix)
| Choose the optimum basis of species for the equilibrium calculations.
void | ElemRearrange (size_t nComponents, const vector< double > &elementAbundances, MultiPhase *mphase, vector< size_t > &orderVectorSpecies, vector< size_t > &orderVectorElements)
| Handles the potential rearrangement of the constraint equations represented by the Formula Matrix.
int | _equilflag (const char *xy)
| map property strings to integers
std::ostream & | operator<< (std::ostream &s, MultiPhase &x)
| Function to output a MultiPhase description to a stream.
double | vcs_l2norm (const vector< double > &vec)
| determine the l2 norm of a vector of doubles
const char * | vcs_speciesType_string (int speciesStatus, int length=100)
| Returns a const char string representing the type of the species given by the first argument.
bool | vcs_doubleEqual (double d1, double d2)
| Simple routine to check whether two doubles are equal up to roundoff error.
static bool | hasChargedSpecies (const ThermoPhase *const tPhase)
| This function decides whether a phase has charged species or not.
static bool | chargeNeutralityElement (const ThermoPhase *const tPhase)
| This utility routine decides whether a Cantera ThermoPhase needs a constraint equation representing the charge neutrality of the phase.
std::ostream & | operator<< (std::ostream &s, const Group &g)
Kinetics * | newKineticsMgr (const string &model)
| Create a new kinetics manager.
shared_ptr< Kinetics > | newKinetics (const string &model)
| Create a new Kinetics instance.
shared_ptr< Kinetics > | newKinetics (const vector< shared_ptr< ThermoPhase > > &phases, const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap(), shared_ptr< Solution > soln={})
| Create a new kinetics manager, initialize it, and add reactions.
unique_ptr< Kinetics > | newKinetics (const vector< ThermoPhase * > &phases, const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
| Create a new kinetics manager, initialize it, and add reactions.
shared_ptr< Kinetics > | newKinetics (const vector< shared_ptr< ThermoPhase > > &phases, const string &filename, const string &phase_name="")
| Create a new kinetics manager, initialize it, and add reactions.
unique_ptr< Kinetics > | newKinetics (const vector< ThermoPhase * > &phases, const string &filename, const string &phase_name)
| Create a new kinetics manager, initialize it, and add reactions.
void | addReactions (Kinetics &kin, const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
| Add reactions to a Kinetics object.
void | updateUndeclared (vector< string > &undeclared, const Composition &comp, const Kinetics &kin)
unique_ptr< Reaction > | newReaction (const string &type)
| Create a new empty Reaction object.
unique_ptr< Reaction > | newReaction (const AnyMap &rxn_node, const Kinetics &kin)
| Create a new Reaction object using the specified parameters.
void | parseReactionEquation (Reaction &R, const string &equation, const AnyBase &reactionNode, const Kinetics *kin)
| Parse reaction equation.
vector< shared_ptr< Reaction > > | getReactions (const AnyValue &items, Kinetics &kinetics)
| Create Reaction objects for each item (an AnyMap) in `items`.
string | reactionLabel (size_t i, size_t kr, size_t nr, const vector< size_t > &slist, const Kinetics &s)
shared_ptr< ReactionRate > | newReactionRate (const string &type)
| Create a new empty ReactionRate object.
shared_ptr< ReactionRate > | newReactionRate (const AnyMap &rate_node, const UnitStack &rate_units)
| Create a new Rate object using the specified parameters.
shared_ptr< ReactionRate > | newReactionRate (const AnyMap &rate_node)
| Create a new Rate object using the specified parameters.
static double | calc_damping (double *x, double *dx, size_t dim, int *)
static double | calcWeightedNorm (const double wtX[], const double dx[], size_t dim)
| This function calculates the norm of an update, dx[], based on the weighted values of x.
static double | calc_damping (double x[], double dxneg[], size_t dim, int *label)
| This function calculates a damping factor for the Newton iteration update vector, dxneg, to insure that all site and bulk fractions, x, remain bounded between zero and one.
ostream & | operator<< (std::ostream &s, const BandMatrix &m)
| Utility routine to print out the matrix.
static int | cvodes_rhs (realtype t, N_Vector y, N_Vector ydot, void *f_data)
| Function called by cvodes to evaluate ydot given y.
static void | cvodes_err (int error_code, const char *module, const char *function, char *msg, void *eh_data)
| Function called by CVodes when an error is encountered instead of writing to stdout.
static int | cvodes_prec_setup (realtype t, N_Vector y, N_Vector ydot, booleantype jok, booleantype *jcurPtr, realtype gamma, void *f_data)
static int | cvodes_prec_solve (realtype t, N_Vector y, N_Vector ydot, N_Vector r, N_Vector z, realtype gamma, realtype delta, int lr, void *f_data)
int | solve (DenseMatrix &A, double *b, size_t nrhs=1, size_t ldb=0)
| Solve Ax = b. Array b is overwritten on exit with x.
int | solve (DenseMatrix &A, DenseMatrix &b)
| Solve Ax = b for multiple right-hand-side vectors.
void | multiply (const DenseMatrix &A, const double *const b, double *const prod)
| Multiply `A*b` and return the result in `prod`. Uses BLAS routine DGEMV.
void | increment (const DenseMatrix &A, const double *const b, double *const prod)
| Multiply `A*b` and add it to the result in `prod`. Uses BLAS routine DGEMV.
int | invert (DenseMatrix &A, size_t nn=npos)
| invert A. A is overwritten with A^-1.
Func1 & | newSumFunction (Func1 &f1, Func1 &f2)
shared_ptr< Func1 > | newSumFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
| Sum of two functions.
Func1 & | newDiffFunction (Func1 &f1, Func1 &f2)
shared_ptr< Func1 > | newDiffFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
| Difference of two functions.
Func1 & | newProdFunction (Func1 &f1, Func1 &f2)
shared_ptr< Func1 > | newProdFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
| Product of two functions.
Func1 & | newRatioFunction (Func1 &f1, Func1 &f2)
shared_ptr< Func1 > | newRatioFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
| Ratio of two functions.
Func1 & | newCompositeFunction (Func1 &f1, Func1 &f2)
shared_ptr< Func1 > | newCompositeFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
| Composite of two functions.
Func1 & | newTimesConstFunction (Func1 &f, double c)
shared_ptr< Func1 > | newTimesConstFunction (shared_ptr< Func1 > f1, double c)
| Product of function and constant.
Func1 & | newPlusConstFunction (Func1 &f, double c)
shared_ptr< Func1 > | newPlusConstFunction (shared_ptr< Func1 > f1, double c)
| Sum of function and constant.
shared_ptr< Func1 > | newFunc1 (const string &func1Type, double coeff=1.)
| Create a new simple functor object (see Simple Functors).
shared_ptr< Func1 > | newFunc1 (const string &func1Type, const vector< double > &params)
| Create a new advanced functor object (see Advanced Functors).
shared_ptr< Func1 > | newFunc1 (const string &func1Type, const shared_ptr< Func1 > f1, const shared_ptr< Func1 > f2)
| Create a new compound functor object (see Compound Functors).
shared_ptr< Func1 > | newFunc1 (const string &func1Type, const shared_ptr< Func1 > f, double coeff)
| Create a new modified functor object (see Modified Functors).
double | linearInterp (double x, const vector< double > &xpts, const vector< double > &fpts)
| Linearly interpolate a function defined on a discrete grid.
double | trapezoidal (const Eigen::ArrayXd &f, const Eigen::ArrayXd &x)
| Numerical integration of a function using the trapezoidal rule.
double | basicSimpson (const Eigen::ArrayXd &f, const Eigen::ArrayXd &x)
| Numerical integration of a function using Simpson's rule.
double | simpson (const Eigen::ArrayXd &f, const Eigen::ArrayXd &x)
| Numerical integration of a function using Simpson's rule with flexibility of taking odd and even number of points.
double | numericalQuadrature (const string &method, const Eigen::ArrayXd &f, const Eigen::ArrayXd &x)
| Numerical integration of a function.
static int | ida_rhs (realtype t, N_Vector y, N_Vector ydot, N_Vector r, void *f_data)
| Function called by IDA to evaluate the residual, given y and ydot.
static void | ida_err (int error_code, const char *module, const char *function, char *msg, void *eh_data)
| Function called by IDA when an error is encountered instead of writing to stdout.
Integrator * | newIntegrator (const string &itype)
| Create new Integrator object.
double | polyfit (size_t n, size_t deg, const double *x, const double *y, const double *w, double *p)
| Fits a polynomial function to a set of data points.
shared_ptr< PreconditionerBase > | newPreconditioner (const string &precon)
| Create a Preconditioner object of the specified type.
static int | interp_est (const string &estString)
| Utility function to assign an integer value from a string for the ElectrolyteSpeciesType field.
vector< string > | elementVectorsFromSymbols ()
const vector< string > & | elementSymbols ()
| Get a vector of the atomic symbols of the elements defined in Cantera.
vector< string > | elementVectorsFromNames ()
const vector< string > & | elementNames ()
| Get a vector of the names of the elements defined in Cantera.
map< string, double > | mapAtomicWeights ()
const map< string, double > & | elementWeights ()
| Get a map with the element and isotope symbols and names as keys and weights as values.
double | getElementWeight (const string &ename)
| Get the atomic weight of an element.
double | getElementWeight (int atomicNumber)
| Get the atomic weight of an element.
string | getElementSymbol (const string &ename)
| Get the symbol for an element.
string | getElementSymbol (int atomicNumber)
| Get the symbol for an element.
string | getElementName (const string &ename)
| Get the name of an element.
string | getElementName (int atomicNumber)
| Get the name of an element.
int | getAtomicNumber (const string &ename)
| Get the atomic number for an element.
size_t | numElementsDefined ()
| Get the number of named elements defined in Cantera.
size_t | numIsotopesDefined ()
| Get the number of named isotopes defined in Cantera.
static void | check_nParams (const string &method, size_t nParams, size_t m_formPitzerTemp)
vector< double > | getSizedVector (const AnyMap &item, const string &key, size_t nCoeffs)
void | assignTrimmed (AnyMap &interaction, const string &key, vector< double > &values)
static double | factorOverlap (const vector< string > &elnamesVN, const vector< double > &elemVectorN, const size_t nElementsN, const vector< string > &elnamesVI, const vector< double > &elemVectorI, const size_t nElementsI)
| Return the factor overlap.
double | xlogx (double x)
PDSS * | newPDSS (const string &model)
unique_ptr< Species > | newSpecies (const AnyMap &node)
| Create a new Species object from an AnyMap specification.
vector< shared_ptr< Species > > | getSpecies (const AnyValue &items)
| Generate Species objects for each item (an AnyMap) in `items`.
SpeciesThermoInterpType * | newSpeciesThermoInterpType (int type, double tlow, double thigh, double pref, const double *coeffs)
| Create a new SpeciesThermoInterpType object given a corresponding constant.
SpeciesThermoInterpType * | newSpeciesThermoInterpType (const string &type, double tlow, double thigh, double pref, const double *coeffs)
| Create a new SpeciesThermoInterpType object given a string.
void | setupSpeciesThermo (SpeciesThermoInterpType &thermo, const AnyMap &node)
void | setupNasaPoly (NasaPoly2 &thermo, const AnyMap &node)
void | setupShomatePoly (ShomatePoly2 &thermo, const AnyMap &node)
void | setupConstCp (ConstCpPoly &thermo, const AnyMap &node)
void | setupNasa9Poly (Nasa9PolyMultiTempRegion &thermo, const AnyMap &node)
void | setupMu0 (Mu0Poly &thermo, const AnyMap &node)
unique_ptr< SpeciesThermoInterpType > | newSpeciesThermo (const AnyMap &thermo_node)
| Create a new SpeciesThermoInterpType object using the specified parameters.
ThermoPhase * | newThermoPhase (const string &model)
| Create a new ThermoPhase instance.
shared_ptr< ThermoPhase > | newThermoModel (const string &model)
| Create a new ThermoPhase instance.
shared_ptr< ThermoPhase > | newThermo (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
| Create a new ThermoPhase object and initialize it.
shared_ptr< ThermoPhase > | newThermo (const string &infile, const string &id="")
| Create and Initialize a ThermoPhase object from an input file.
unique_ptr< ThermoPhase > | newPhase (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
| Create a new ThermoPhase object and initialize it.
ThermoPhase * | newPhase (const string &infile, string id="")
| Create and Initialize a ThermoPhase object from an input file.
void | addDefaultElements (ThermoPhase &thermo, const vector< string > &element_names)
void | addElements (ThermoPhase &thermo, const vector< string > &element_names, const AnyValue &elements, bool allow_default)
void | addSpecies (ThermoPhase &thermo, const AnyValue &names, const AnyValue &species)
void | setupPhase (ThermoPhase &phase, const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
| Initialize a ThermoPhase object.
double | quadInterp (double x0, double *x, double *y)
double | Frot (double tr, double sqtr)
| The Parker temperature correction to the rotational collision number.
void | setupGasTransportData (GasTransportData &tr, const AnyMap &node)
unique_ptr< TransportData > | newTransportData (const AnyMap &node)
| Create a new TransportData object from an AnyMap specification.
Transport * | newTransportMgr (const string &model="", ThermoPhase *thermo=0, int log_level=0)
| Build a new transport manager using a transport manager that may not be the same as in the phase description and return a base class pointer to it.
shared_ptr< Transport > | newTransport (shared_ptr< ThermoPhase > thermo, const string &model="default")
| Create a new Transport instance.
shared_ptr< Transport > | newTransport (ThermoPhase *thermo, const string &model="default")
| Create a new Transport instance.
Transport * | newDefaultTransportMgr (ThermoPhase *thermo, int loglevel=0)
| Create a new transport manager instance.
FlowDevice * | newFlowDevice (const string &model)
| Create a FlowDevice object of the specified type.
shared_ptr< FlowDevice > | newFlowDevice3 (const string &model)
| Create a FlowDevice object of the specified type.
ReactorBase * | newReactor (const string &model)
| Create a Reactor object of the specified type.
shared_ptr< ReactorBase > | newReactor3 (const string &model)
| Create a Reactor object of the specified type.
WallBase * | newWall (const string &model)
| Create a WallBase object of the specified type.
shared_ptr< WallBase > | newWall3 (const string &model)
| Create a WallBase object of the specified type.
bool | usingSharedLibrary ()
| Returns `true` if Cantera was loaded as a shared library in the current application.
void | debuglog (const string &msg, int loglevel)
| Write a message to the log only if loglevel > 0.
template<typename... Args>
void | writelog (const string &fmt, const Args &... args)
| Write a formatted message to the screen.
template<typename... Args>
void | writelogf (const char *fmt, const Args &... args)
| Write a formatted message to the screen.
template<typename... Args>
void | warn_deprecated (const string &method, const string &msg, const Args &... args)
| Print a deprecation warning raised from method.
template<typename... Args>
void | warn (const string &warning, const string &method, const string &msg, const Args &... args)
| Print a generic warning raised from method.
template<typename... Args>
void | warn_user (const string &method, const string &msg, const Args &... args)
| Print a user warning raised from method as `CanteraWarning`.
template<class T >
T | clip (const T &value, const T &lower, const T &upper)
| Clip value such that lower <= value <= upper.
template<typename T >
int | sign (T x)
| Sign of a number.
template<class V >
double | dot4 (const V &x, const V &y)
| Templated Inner product of two vectors of length 4.
template<class V >
double | dot5 (const V &x, const V &y)
| Templated Inner product of two vectors of length 5.
template<class InputIter , class InputIter2 >
double | dot (InputIter x_begin, InputIter x_end, InputIter2 y_begin)
| Function that calculates a templated inner product.
template<class InputIter , class OutputIter , class S >
void | scale (InputIter begin, InputIter end, OutputIter out, S scale_factor)
| Multiply elements of an array by a scale factor.
template<class D , class R >
R | poly6 (D x, R *c)
| Templated evaluation of a polynomial of order 6.
template<class D , class R >
R | poly8 (D x, R *c)
| Templated evaluation of a polynomial of order 8.
template<class D , class R >
R | poly5 (D x, R *c)
| Templated evaluation of a polynomial of order 5.
template<class D , class R >
R | poly4 (D x, R *c)
| Evaluates a polynomial of order 4.
template<class D , class R >
R | poly3 (D x, R *c)
| Templated evaluation of a polynomial of order 3.
template<class T , class U >
const U & | getValue (const map< T, U > &m, const T &key, const U &default_val)
| Const accessor for a value in a map.
template<class T , class U = int>
U | len (const T &container)
| Get the size of a container, cast to a signed integer type.
template<class InputIter , class Vec1 , class Vec2 >
static void | _multiply (InputIter begin, InputIter end, const Vec1 &input, Vec2 &output)
template<class InputIter , class Vec1 , class Vec2 >
static void | _incrementSpecies (InputIter begin, InputIter end, const Vec1 &input, Vec2 &output)
template<class InputIter , class Vec1 , class Vec2 >
static void | _decrementSpecies (InputIter begin, InputIter end, const Vec1 &input, Vec2 &output)
template<class InputIter , class Vec1 , class Vec2 >
static void | _incrementReactions (InputIter begin, InputIter end, const Vec1 &input, Vec2 &output)
template<class InputIter , class Vec1 , class Vec2 >
static void | _decrementReactions (InputIter begin, InputIter end, const Vec1 &input, Vec2 &output)
template<class InputIter , class Indices >
static void | _resizeCoeffs (InputIter begin, InputIter end, Indices &ix)
template<class InputIter , class Vec1 , class Vec2 , class Vec3 >
static void | _derivatives (InputIter begin, InputIter end, const Vec1 &S, const Vec2 &R, Vec3 &jac)
template<class InputIter , class Vec1 , class Vec2 >
static void | _scale (InputIter begin, InputIter end, const Vec1 &in, Vec2 &out, double factor)
void | ct_dgemv (ctlapack::storage_t storage, ctlapack::transpose_t trans, int m, int n, doublereal alpha, const doublereal *a, int lda, const doublereal *x, int incX, doublereal beta, doublereal *y, int incY)
void | ct_dgbsv (int n, int kl, int ku, int nrhs, doublereal *a, int lda, integer *ipiv, doublereal *b, int ldb, int &info)
void | ct_dgelss (size_t m, size_t n, size_t nrhs, doublereal *a, size_t lda, doublereal *b, size_t ldb, doublereal *s, doublereal rcond, size_t &rank, doublereal *work, int &lwork, int &info)
void | ct_dgbtrf (size_t m, size_t n, size_t kl, size_t ku, doublereal *a, size_t lda, integer *ipiv, int &info)
void | ct_dgbtrs (ctlapack::transpose_t trans, size_t n, size_t kl, size_t ku, size_t nrhs, doublereal *a, size_t lda, integer *ipiv, doublereal *b, size_t ldb, int &info)
void | ct_dgetrf (size_t m, size_t n, doublereal *a, size_t lda, integer *ipiv, int &info)
void | ct_dgetrs (ctlapack::transpose_t trans, size_t n, size_t nrhs, doublereal *a, size_t lda, integer *ipiv, doublereal *b, size_t ldb, int &info)
void | ct_dgetri (int n, doublereal *a, int lda, integer *ipiv, doublereal *work, int lwork, int &info)
void | ct_dscal (int n, doublereal da, doublereal *dx, int incx)
void | ct_dgeqrf (size_t m, size_t n, doublereal *a, size_t lda, doublereal *tau, doublereal *work, size_t lwork, int &info)
void | ct_dormqr (ctlapack::side_t rlside, ctlapack::transpose_t trans, size_t m, size_t n, size_t k, doublereal *a, size_t lda, doublereal *tau, doublereal *c, size_t ldc, doublereal *work, size_t lwork, int &info)
void | ct_dtrtrs (ctlapack::upperlower_t uplot, ctlapack::transpose_t trans, const char *diag, size_t n, size_t nrhs, doublereal *a, size_t lda, doublereal *b, size_t ldb, int &info)
doublereal | ct_dtrcon (const char *norm, ctlapack::upperlower_t uplot, const char *diag, size_t n, doublereal *a, size_t lda, doublereal *work, int *iwork, int &info)
void | ct_dpotrf (ctlapack::upperlower_t uplot, size_t n, doublereal *a, size_t lda, int &info)
void | ct_dpotrs (ctlapack::upperlower_t uplot, size_t n, size_t nrhs, doublereal *a, size_t lda, doublereal *b, size_t ldb, int &info)
doublereal | ct_dgecon (const char norm, size_t n, doublereal *a, size_t lda, doublereal anorm, doublereal *work, int *iwork, int &info)
doublereal | ct_dgbcon (const char norm, size_t n, size_t kl, size_t ku, doublereal *a, size_t ldab, int *ipiv, doublereal anorm, doublereal *work, int *iwork, int &info)
doublereal | ct_dlange (const char norm, size_t m, size_t n, doublereal *a, size_t lda, doublereal *work)
template<class T = Domain1D>
shared_ptr< T > | newDomain (const string &domainType, shared_ptr< Solution > solution, const string &id="")
| Create a Domain object of the specified type.
Global Warning Settings
void | suppress_deprecation_warnings ()
| Globally disable printing of deprecation warnings.
void | make_deprecation_warnings_fatal ()
| Turns deprecation warnings into exceptions.
void | suppress_warnings ()
| Globally disable printing of (user) warnings.
bool | warnings_suppressed ()
| Returns `true` if warnings should be suppressed.
void | make_warnings_fatal ()
| Turns Cantera warnings into exceptions.
void | suppress_thermo_warnings (bool suppress=true)
| Globally disable printing of warnings about problematic thermo data, such as NASA polynomials with discontinuities at the midpoint temperature.
bool | thermo_warnings_suppressed ()
| Returns `true` if thermo warnings should be suppressed.
Cantera Version Information
string | version ()
| Returns the Cantera version.
string | gitCommit ()
| Returns the hash of the git commit from which Cantera was compiled, if known.

## Variables
static std::mutex | dir_mutex
| Mutex for input directory access.
static std::mutex | app_mutex
| Mutex for creating singletons within the application object.
static std::mutex | msg_mutex
| Mutex for access to string messages.
static const char * | stars
int | BasisOptimize_print_lvl = 0
| External int that is used to turn on debug printing for the BasisOptimize program.
static const double | USEDBEFORE = -1
int | vcs_timing_print_lvl = 1
| Global hook for turning on and off time printing.
const double | DampFactor = sqrt(2.0)
const size_t | NDAMP = 7
static vector< atomicWeightData > | atomicWeightTable
| atomicWeightTable is a vector containing the atomic weights database.
static vector< isotopeWeightData > | isotopeWeightTable
| isotopeWeightTable is a vector containing the atomic weights database.
const double | T_c = 647.096
| Critical Temperature value (kelvin)
static const double | P_c = 22.064E6
| Critical Pressure (Pascals)
const double | Rho_c = 322.
| Value of the Density at the critical point (kg m-3)
static const double | M_water = 18.015268
| Molecular Weight of water that is consistent with the paper (kg kmol-1)
static const double | R_water = 461.51805
static const double | Rgas = 8.314371E3
| Gas constant that is quoted in the paper.
const int | DeltaDegree = 6
static const double | Min_C_Internal = 0.001
| Constant to compare dimensionless heat capacities against zero.
const double | SmallNumber = 1.e-300
| smallest number to compare to zero.
const double | BigNumber = 1.e300
| largest number to compare to inf.
const double | Undef = -999.1234
| Fairly random number to be used to initialize variables against to see if they are subsequently defined.
const double | Tiny = 1.e-20
| Small number to compare differences of mole fractions against.
const size_t | npos = static_cast<size_t>(-1)
| index returned by functions to indicate "no position"
const int | FourierFuncType = 1
const int | PolyFuncType = 2
const int | ArrheniusFuncType = 3
const int | GaussianFuncType = 4
const int | SumFuncType = 20
const int | DiffFuncType = 25
const int | ProdFuncType = 30
const int | RatioFuncType = 40
const int | PeriodicFuncType = 50
const int | CompositeFuncType = 60
const int | TimesConstantFuncType = 70
const int | PlusConstantFuncType = 80
const int | SinFuncType = 100
const int | CosFuncType = 102
const int | ExpFuncType = 104
const int | PowFuncType = 106
const int | ConstFuncType = 110
const int | TabulatedFuncType = 120
const int | DIAG = 1
const int | DENSE = 2
const int | NOJAC = 4
const int | JAC = 8
const int | GMRES = 16
const int | BAND = 32
const int | c_NONE = 0
const int | c_GE_ZERO = 1
const int | c_GT_ZERO = 2
const int | c_LE_ZERO = -1
const int | c_LT_ZERO = -2
const int | LeftInlet = 1
const int | RightInlet = -1
const int | cFlowType = 50
const int | cFreeFlow = 51
const int | cAxisymmetricStagnationFlow = 52
const int | cConnectorType = 100
const int | cSurfType = 102
const int | cInletType = 104
const int | cSymmType = 105
const int | cOutletType = 106
const int | cEmptyType = 107
const int | cOutletResType = 108
const int | cPorousType = 109
const int | cEST_solvent = 0
| Electrolyte species type.
const int | cEST_chargedSpecies = 1
const int | cEST_weakAcidAssociated = 2
const int | cEST_strongAcidAssociated = 3
const int | cEST_polarNeutral = 4
const int | cEST_nonpolarNeutral = 5
const int | PHSCALE_PITZER = 0
| Scale to be used for the output of single-ion activity coefficients is that used by Pitzer.
const int | PHSCALE_NBS = 1
| Scale to be used for evaluation of single-ion activity coefficients is that used by the NBS standard for evaluation of the pH variable.
const VelocityBasis | VB_MASSAVG = -1
const VelocityBasis | VB_MOLEAVG = -2
| Diffusion velocities are based on the mole averaged velocities.
const VelocityBasis | VB_SPECIES_0 = 0
| Diffusion velocities are based on the relative motion wrt species 0.
const VelocityBasis | VB_SPECIES_1 = 1
| Diffusion velocities are based on the relative motion wrt species 1.
const VelocityBasis | VB_SPECIES_2 = 2
| Diffusion velocities are based on the relative motion wrt species 2.
const VelocityBasis | VB_SPECIES_3 = 3
| Diffusion velocities are based on the relative motion wrt species 3.
Numerical Constants
const double | Pi = 3.14159265358979323846
| Pi.
const double | Sqrt2 = 1.41421356237309504880
| Sqrt(2)
Defined Constants
These constants are defined by CODATA to have a particular value; see NIST Reference on Constants, Units, and Uncertainty.
const double | Avogadro = 6.02214076e26
| Avogadro's Number \( N_{\mathrm{A}} \) [number/kmol].
const double | Boltzmann = 1.380649e-23
| Boltzmann constant \( k \) [J/K].
const double | Planck = 6.62607015e-34
| Planck constant \( h \) [J-s].
const double | ElectronCharge = 1.602176634e-19
| Elementary charge \( e \) [C].
const double | lightSpeed = 299792458.0
| Speed of Light in a vacuum \( c \) [m/s].
const double | OneAtm = 1.01325e5
| One atmosphere [Pa].
const double | OneBar = 1.0E5
| One bar [Pa].
Measured Constants
These constants are measured and reported by CODATA
const double | fineStructureConstant = 7.2973525693e-3
| Fine structure constant \( \alpha \) [].
const double | ElectronMass = 9.1093837015e-31
| Electron Mass \( m_e \) [kg].
Derived Constants
These constants are found from the defined and measured constants
const double | GasConstant = Avogadro * Boltzmann
| Universal Gas Constant \( R_u \) [J/kmol/K].
const double | logGasConstant = std::log(GasConstant)
const double | GasConst_cal_mol_K = GasConstant / 4184.0
| Universal gas constant in cal/mol/K.
const double | StefanBoltz = 2.0 * std::pow(Pi, 5) * std::pow(Boltzmann, 4) / (15.0 * std::pow(Planck, 3) * lightSpeed * lightSpeed)
| Stefan-Boltzmann constant \( \sigma \) [W/m2/K4].
const double | Faraday = ElectronCharge * Avogadro
| Faraday constant \( F \) [C/kmol].
const double | permeability_0 = 2 * fineStructureConstant * Planck / (ElectronCharge * ElectronCharge * lightSpeed)
| Permeability of free space \( \mu_0 \) [N/A2].
const double | epsilon_0 = 1.0 / (lightSpeed * lightSpeed * permeability_0)
| Permittivity of free space \( \varepsilon_0 \) [F/m].
Thermodynamic Equilibrium Constraints
Integer numbers representing pairs of thermodynamic variables which are held constant during equilibration.
const int | TV = 100
const int | HP = 101
const int | SP = 102
const int | PV = 103
const int | TP = 104
const int | UV = 105
const int | ST = 106
const int | SV = 107
const int | UP = 108
const int | VH = 109
const int | TH = 110
const int | SH = 111
const int | PX = 112
const int | TX = 113
const int | VT = -100
const int | PH = -101
const int | PS = -102
const int | VP = -103
const int | PT = -104
const int | VU = -105
const int | TS = -106
const int | VS = -107
const int | PU = -108
const int | HV = -109
const int | HT = -110
const int | HS = -111
const int | XP = -112
const int | XT = -113
CONSTANTS - Specification of the Molality convention
const int | cAC_CONVENTION_MOLAR = 0
| Standard state uses the molar convention.
const int | cAC_CONVENTION_MOLALITY = 1
| Standard state uses the molality convention.
CONSTANTS - Specification of the SS convention
const int | cSS_CONVENTION_TEMPERATURE = 0
| Standard state uses the molar convention.
const int | cSS_CONVENTION_VPSS = 1
| Standard state uses the molality convention.
const int | cSS_CONVENTION_SLAVE = 2
| Standard state thermodynamics is obtained from slave ThermoPhase objects.

## Typedef Documentation

## ◆ compositionMap

typedef map<string, double> compositionMap

Map connecting a string name with a double.

This is used mostly to assign concentrations and mole fractions to species.

Deprecated:
  To be removed after Cantera 3.0

Definition at line 180 of file ct_defs.h.

## ◆ Composition

typedef map<string, double> Composition

Map from string names to doubles.

Used for defining species mole/mass fractions, elemental compositions, and reaction stoichiometries.

Definition at line 184 of file ct_defs.h.

## ◆ vector_fp

typedef vector<double> vector_fp

Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.

Deprecated:
  To be removed after Cantera 3.0

Definition at line 189 of file ct_defs.h.

## ◆ vector_int

typedef vector<int> vector_int

Vector of ints.

Deprecated:
  To be removed after Cantera 3.0

Definition at line 192 of file ct_defs.h.

## ◆ CachedScalar

typedef CachedValue<double>& CachedScalar

Definition at line 116 of file ValueCache.h.

## ◆ CachedArray

typedef CachedValue<vector<double> >& CachedArray

Definition at line 117 of file ValueCache.h.

## ◆ VCS_FUNC_PTR

typedef double(* VCS_FUNC_PTR) (double xval, double Vtarget, int varID, void *fptrPassthrough, int *err)

Definition of the function pointer for the root finder.

see vcsUtil_root1d for a definition of how to use this.

Definition at line 79 of file vcs_internal.h.

## ◆ Falloff

typedef FalloffRate Falloff

Definition at line 613 of file Falloff.h.

## ◆ Lindemann

typedef LindemannRate Lindemann

Definition at line 614 of file Falloff.h.

## ◆ Troe

typedef TroeRate Troe

Definition at line 615 of file Falloff.h.

## ◆ SRI

typedef SriRate SRI

Definition at line 616 of file Falloff.h.

## ◆ Tsang

typedef TsangRate Tsang

Definition at line 617 of file Falloff.h.

## ◆ ThreeBodyReaction3

using ThreeBodyReaction3 = ThreeBodyReaction

Definition at line 336 of file Reaction.h.

## ◆ FalloffReaction3

using FalloffReaction3 = FalloffReaction

Definition at line 337 of file Reaction.h.

## ◆ ThirdBodyCalc3

using ThirdBodyCalc3 = ThirdBodyCalc

Definition at line 155 of file ThirdBodyCalc.h.

## Enumeration Type Documentation

## ◆ flow_t

enum flow_t

Definition at line 18 of file ReactionPath.h.

## ◆ MethodType

enum MethodType

Specifies the method used to integrate the system of equations.

Not all methods are supported by all integrators.

Enumerator
BDF_Method | Backward Differentiation.
Adams_Method | Adams.

Definition at line 30 of file Integrator.h.

## ◆ IterType

enum IterType

Specifies the method used for iteration.

Not all methods are supported by all integrators.

Enumerator
Newton_Iter | Newton Iteration.
Functional_Iter | Functional Iteration.

Definition at line 39 of file Integrator.h.

## ◆ PreconditionerSide

enum class PreconditionerSide
| strong

Specifies the side of the system on which the preconditioner is applied.

Not all methods are supported by all integrators.

Enumerator
LEFT_PRECONDITION | No preconditioning.
RIGHT_PRECONDITION | Left side preconditioning.
BOTH_PRECONDITION | Right side preconditioning. Left and right side preconditioning

Definition at line 22 of file PreconditionerBase.h.

## ◆ ResidEval_Type_Enum

enum ResidEval_Type_Enum

Differentiates the type of residual evaluations according to functionality.

Enumerator
Base_ResidEval | Base residual calculation for the time-stepping function.
JacBase_ResidEval | Base residual calculation for the Jacobian calculation.
JacDelta_ResidEval | Delta residual calculation for the Jacobian calculation.
Base_ShowSolution | Base residual calculation for the showSolution routine. We calculate this when we want to display a solution
Base_LaggedSolutionComponents | Base residual calculation containing any lagged components. We use this to calculate residuals when doing line searches along directions determined by Jacobians that are missing contributions from lagged entries.

Definition at line 25 of file ResidJacEval.h.

## ◆ offset

enum offset

Offsets of solution components in the 1D solution array.

Enumerator
c_offset_U | axial velocity
c_offset_V | strain rate
c_offset_T | temperature
c_offset_L | (1/r)dP/dr
c_offset_E | electric poisson's equation
c_offset_Y | mass fractions

Definition at line 23 of file StFlow.h.

## ◆ IonSolnType_enumType

enum IonSolnType_enumType

enums for molten salt ion solution types

Types identify how complicated the solution is. If there is just mixing on one of the sublattices but not the other, then the math is considerably simpler.

Definition at line 25 of file IonsFromNeutralVPSSTP.h.

## ◆ ThermoBasis

enum class ThermoBasis
| strong

Differentiate between mole fractions and mass fractions for input mixture composition.

Definition at line 153 of file ThermoPhase.h.

## ◆ SensParameterType

enum class SensParameterType
| strong

Definition at line 30 of file ReactorBase.h.

## Function Documentation

## ◆ operator==() [1/4]

bool operator== | ( | const string & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 757 of file AnyMap.cpp.

## ◆ operator!=() [1/4]

bool operator!= | ( | const string & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 762 of file AnyMap.cpp.

## ◆ operator==() [2/4]

bool operator== | ( | const double & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 848 of file AnyMap.cpp.

## ◆ operator!=() [2/4]

bool operator!= | ( | const double & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 853 of file AnyMap.cpp.

## ◆ operator==() [3/4]

bool operator== | ( | const long int & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 937 of file AnyMap.cpp.

## ◆ operator!=() [3/4]

bool operator!= | ( | const long int & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 942 of file AnyMap.cpp.

## ◆ operator==() [4/4]

bool operator== | ( | const int & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 947 of file AnyMap.cpp.

## ◆ operator!=() [4/4]

bool operator!= | ( | const int & | lhs,
|  | const AnyValue & | rhs
| ) |  |

Definition at line 952 of file AnyMap.cpp.

## ◆ begin()

AnyMap::Iterator begin | ( | const AnyValue & | v | ) |

Definition at line 1838 of file AnyMap.cpp.

## ◆ end()

AnyMap::Iterator end | ( | const AnyValue & | v | ) |

Definition at line 1842 of file AnyMap.cpp.

## ◆ warn_deprecated()

void warn_deprecated | ( | const string & | source,
|  | const AnyBase & | node,
|  | const string & | message
| ) |  |

A deprecation warning for syntax in an input file.

Definition at line 1926 of file AnyMap.cpp.

## ◆ operator<<() [1/4]

std::ostream & operator<< | ( | std::ostream & | s,
|  | const Array2D & | m
| ) |  |

Output the current contents of the Array2D object.

Example of usage: s << m << endl;

Parameters

  s | Reference to the ostream to write to
  m | Object of type Array2D that you are querying

Returns
  a reference to the ostream.

Definition at line 120 of file Array.cpp.

## ◆ operator*=()

void operator*= | ( | Array2D & | m,
|  | double | a
| ) |  |

Overload the times equals operator for multiplication of a matrix and a scalar.

Scaled every element of the matrix by the scalar input

Parameters

  m | Matrix
  a | scalar

Definition at line 134 of file Array.cpp.

## ◆ checkFinite() [1/2]

void checkFinite | ( | const double | tmp | ) |

Check to see that a number is finite (not NaN, +Inf or -Inf)

Definition at line 15 of file checkFinite.cpp.

## ◆ checkFinite() [2/2]

void checkFinite | ( | const string & | name,
|  | double * | values,
|  | size_t | N
| ) |  |

Check to see that all elements in an array are finite.

Throws an exception if any element is NaN, +Inf, or -Inf

Parameters

  name | Name to be used in the exception message if the check fails
  values | Array of N values to be checked
  N | Number of elements in values

Definition at line 28 of file checkFinite.cpp.

## ◆ app()

static Application * app | ( |  | ) |
| static

Return a pointer to the application object.

Definition at line 20 of file global.cpp.

## ◆ _warn_deprecated()

void _warn_deprecated | ( | const string & | method,
|  | const string & | extra
| ) |  |

Definition at line 57 of file global.cpp.

## ◆ _warn()

void _warn | ( | const string & | warning,
|  | const string & | method,
|  | const string & | extra
| ) |  |

Definition at line 62 of file global.cpp.

## ◆ appdelete()

void appdelete | ( |  | ) |

Delete and free all memory associated with the application.

Delete all global data. It should be called at the end of the application if leak checking is to be done.

Definition at line 134 of file global.cpp.

## ◆ thread_complete()

void thread_complete | ( |  | ) |

Delete and free memory allocated per thread in multithreaded applications.

Delete the memory allocated per thread by Cantera. It should be called from within the thread just before the thread terminates. If your version of Cantera has not been specifically compiled for thread safety this function does nothing.

Definition at line 140 of file global.cpp.

## ◆ loadExtension()

void loadExtension | ( | const string & | extType,
|  | const string & | name
| ) |  |

Load an extension implementing user-defined models.

Parameters

  extType | Specifies the interface / language of the extension, for example "python"
  name | Specifies the name of the extension. The meaning of this parameter depends on the specific extension interface. For example, for Python extensions, this is the name of the Python module containing the models.

Since
  New in Cantera 3.0

Definition at line 174 of file global.cpp.

## ◆ loadExtensions()

void loadExtensions | ( | const AnyMap & | node | ) |

Load extensions providing user-defined models from the `extensions` section of the given node.

See also
  Application::loadExtension

Since
  New in Cantera 3.0

Definition at line 179 of file global.cpp.

## ◆ searchPythonVersions()

void searchPythonVersions | ( | const string & | versions | ) |

Set the versions of Python to try when loading user-defined extensions, in order of preference.

Separate multiple versions with commas, for example `"3.11,3.10"`.

Since
  New in Cantera 3.0

Definition at line 189 of file global.cpp.

## ◆ isSimpleVector()

bool isSimpleVector | ( | const AnyValue & | any | ) |

Definition at line 697 of file SolutionArray.cpp.

## ◆ preamble()

AnyMap preamble | ( | const string & | desc | ) |

Definition at line 894 of file SolutionArray.cpp.

## ◆ openField()

AnyMap & openField | ( | AnyMap & | root,
|  | const string & | name
| ) |  |

Definition at line 924 of file SolutionArray.cpp.

## ◆ locateField()

const AnyMap & locateField | ( | const AnyMap & | root,
|  | const string & | name
| ) |  |

Definition at line 1330 of file SolutionArray.cpp.

## ◆ getName()

string getName | ( | const set< string > & | names,
|  | const string & | name
| ) |  |

Definition at line 1610 of file SolutionArray.cpp.

## ◆ split_unit()

static pair< double, string > split_unit | ( | const AnyValue & | v | ) |
| static

Definition at line 586 of file Units.cpp.

## ◆ _equilflag()

int _equilflag | ( | const char * | xy | ) |

map property strings to integers

Definition at line 20 of file ChemEquil.cpp.

## ◆ operator<<() [2/4]

std::ostream & operator<< | ( | std::ostream & | s,
|  | MultiPhase & | x
| ) |  |

Function to output a MultiPhase description to a stream.

Writes out a description of the contents of each phase of the MultiPhase using the report function.

Parameters

  s | ostream
  x | Reference to a MultiPhase

Returns
  a reference to the ostream

Definition at line 825 of file MultiPhase.cpp.

## ◆ vcs_l2norm()

double vcs_l2norm | ( | const vector< double > & | vec | ) |

determine the l2 norm of a vector of doubles

Parameters

  vec | vector of doubles

Returns
  the l2 norm of the vector

Definition at line 19 of file vcs_util.cpp.

## ◆ vcs_speciesType_string()

const char * vcs_speciesType_string | ( | int | speciesStatus,
|  | int | length = `100`
| ) |  |

Returns a const char string representing the type of the species given by the first argument.

Parameters

  speciesStatus | Species status integer representing the type of the species.
  length | Maximum length of the string to be returned. Shorter values will yield abbreviated strings. Defaults to a value of 100.

Definition at line 31 of file vcs_util.cpp.

## ◆ vcs_doubleEqual()

bool vcs_doubleEqual | ( | double | d1,
|  | double | d2
| ) |  |

Simple routine to check whether two doubles are equal up to roundoff error.

Currently it's set to check for 10 digits of relative accuracy.

Parameters

  d1 | first double
  d2 | second double

Returns
  true if the doubles are "equal" and false otherwise

Definition at line 89 of file vcs_util.cpp.

## ◆ hasChargedSpecies()

static bool hasChargedSpecies | ( | const ThermoPhase *const | tPhase | ) |
| static

This function decides whether a phase has charged species or not.

Definition at line 763 of file vcs_VolPhase.cpp.

## ◆ chargeNeutralityElement()

static bool chargeNeutralityElement | ( | const ThermoPhase *const | tPhase | ) |
| static

This utility routine decides whether a Cantera ThermoPhase needs a constraint equation representing the charge neutrality of the phase.

It does this by searching for charged species. If it finds one, and if the phase needs one, then it returns true.

Definition at line 777 of file vcs_VolPhase.cpp.

## ◆ operator<<() [3/4]

std::ostream & operator<< | ( | std::ostream & | s,
|  | const Group & | g
| ) |  |

Definition at line 60 of file Group.cpp.

## ◆ updateUndeclared()

void updateUndeclared | ( | vector< string > & | undeclared,
|  | const Composition & | comp,
|  | const Kinetics & | kin
| ) |  |

Definition at line 569 of file Reaction.cpp.

## ◆ newReaction() [1/2]

unique_ptr< Reaction > newReaction | ( | const string & | type | ) |

Create a new empty Reaction object.

Parameters

  type | string identifying type of reaction.

Definition at line 912 of file Reaction.cpp.

## ◆ newReaction() [2/2]

unique_ptr< Reaction > newReaction | ( | const AnyMap & | rxn_node,
|  | const Kinetics & | kin
| ) |  |

Create a new Reaction object using the specified parameters.

Parameters

  rxn_node | AnyMap node describing reaction.
  kin | kinetics manager

Definition at line 917 of file Reaction.cpp.

## ◆ parseReactionEquation()

void parseReactionEquation | ( | Reaction & | R,
|  | const string & | equation,
|  | const AnyBase & | reactionNode,
|  | const Kinetics * | kin
| ) |  |

Parse reaction equation.

Definition at line 922 of file Reaction.cpp.

## ◆ getReactions()

vector< shared_ptr< Reaction > > getReactions | ( | const AnyValue & | items,
|  | Kinetics & | kinetics
| ) |  |

Create Reaction objects for each item (an AnyMap) in `items`.

The species involved in these reactions must exist in the phases associated with the Kinetics object `kinetics`.

Definition at line 992 of file Reaction.cpp.

## ◆ reactionLabel()

string reactionLabel | ( | size_t | i,
|  | size_t | kr,
|  | size_t | nr,
|  | const vector< size_t > & | slist,
|  | const Kinetics & | s
| ) |  |

Definition at line 652 of file ReactionPath.cpp.

## ◆ calcWeightedNorm()

static double calcWeightedNorm | ( | const double | wtX[],
|  | const double | dx[],
|  | size_t | dim
| ) |  |
| static

This function calculates the norm of an update, dx[], based on the weighted values of x.

Definition at line 528 of file solveSP.cpp.

## ◆ calc_damping()

static double calc_damping | ( | double | x[],
|  | double | dxneg[],
|  | size_t | dim,
|  | int * | label
| ) |  |
| static

This function calculates a damping factor for the Newton iteration update vector, dxneg, to insure that all site and bulk fractions, x, remain bounded between zero and one.

     dxneg[] = negative of the update vector.

The constant "APPROACH" sets the fraction of the distance to the boundary that the step can take. If the full step would not force any fraction outside of 0-1, then Newton's method is allowed to operate normally.

Definition at line 482 of file solveSP.cpp.

## ◆ operator<<() [4/4]

std::ostream & operator<< | ( | std::ostream & | s,
|  | const BandMatrix & | m
| ) |  |

Utility routine to print out the matrix.

Parameters

  s | ostream to print the matrix out to
  m | Matrix to be printed

Returns
  a reference to the ostream

Definition at line 319 of file BandMatrix.cpp.

## ◆ cvodes_err()

static void cvodes_err | ( | int | error_code,
|  | const char * | module,
|  | const char * | function,
|  | char * | msg,
|  | void * | eh_data
| ) |  |
| static

Function called by CVodes when an error is encountered instead of writing to stdout.

Here, save the error message provided by CVodes so that it can be included in the subsequently raised CanteraError.

Definition at line 48 of file CVodesIntegrator.cpp.

## ◆ cvodes_prec_setup()

static int cvodes_prec_setup | ( | realtype | t,
|  | N_Vector | y,
|  | N_Vector | ydot,
|  | booleantype | jok,
|  | booleantype * | jcurPtr,
|  | realtype | gamma,
|  | void * | f_data
| ) |  |
| static

Definition at line 56 of file CVodesIntegrator.cpp.

## ◆ cvodes_prec_solve()

static int cvodes_prec_solve | ( | realtype | t,
|  | N_Vector | y,
|  | N_Vector | ydot,
|  | N_Vector | r,
|  | N_Vector | z,
|  | realtype | gamma,
|  | realtype | delta,
|  | int | lr,
|  | void * | f_data
| ) |  |
| static

Definition at line 70 of file CVodesIntegrator.cpp.

## ◆ solve() [1/2]

int solve | ( | DenseMatrix & | A,
|  | double * | b,
|  | size_t | nrhs = `1`,
|  | size_t | ldb = `0`
| ) |  |

Solve Ax = b. Array b is overwritten on exit with x.

The solve function uses the LAPACK routine dgetrf to invert the m xy n matrix.

The factorization has the form

    A = P * L * U

where P is a permutation matrix, L is lower triangular with unit diagonal elements (lower trapezoidal if m > n), and U is upper triangular (upper trapezoidal if m < n).

The system is then solved using the LAPACK routine dgetrs

Parameters

  A | Dense matrix to be factored
  b | RHS(s) to be solved.
  nrhs | Number of right hand sides to solve
  ldb | Leading dimension of b, if nrhs > 1

Definition at line 133 of file DenseMatrix.cpp.

## ◆ solve() [2/2]

int solve | ( | DenseMatrix & | A,
|  | DenseMatrix & | b
| ) |  |

Solve Ax = b for multiple right-hand-side vectors.

Parameters

  A | Dense matrix to be factored
  b | Dense matrix of RHS's. Each column is a RHS

Definition at line 202 of file DenseMatrix.cpp.

## ◆ multiply()

void multiply | ( | const DenseMatrix & | A,
|  | const double *const | b,
|  | double *const | prod
| ) |  |

Multiply `A*b` and return the result in `prod`. Uses BLAS routine DGEMV.

\[ prod_i = sum^N_{j = 1}{A_{ij} b_j} \]

Parameters

  [in] | A | Dense Matrix A with M rows and N columns
  [in] | b | vector b with length N
  [out] | prod | vector prod length = M

Definition at line 207 of file DenseMatrix.cpp.

## ◆ increment()

void increment | ( | const DenseMatrix & | A,
|  | const double *const | b,
|  | double *const | prod
| ) |  |

Multiply `A*b` and add it to the result in `prod`. Uses BLAS routine DGEMV.

\[ prod_i += sum^N_{j = 1}{A_{ij} b_j} \]

Parameters

  [in] | A | Dense Matrix A with M rows and N columns
  [in] | b | vector b with length N
  [out] | prod | vector prod length = M

Definition at line 212 of file DenseMatrix.cpp.

## ◆ invert()

int invert | ( | DenseMatrix & | A,
|  | size_t | nn = `npos`
| ) |  |

invert A. A is overwritten with A^-1.

Parameters

  A | Invert the matrix A and store it back in place
  nn | Size of A. This defaults to -1, which means that the number of rows is used as the default size of n

Definition at line 226 of file DenseMatrix.cpp.

## ◆ newSumFunction()

Func1 & newSumFunction | ( | Func1 & | f1,
|  | Func1 & | f2
| ) |  |

Definition at line 973 of file Func1.cpp.

## ◆ newDiffFunction()

Func1 & newDiffFunction | ( | Func1 & | f1,
|  | Func1 & | f2
| ) |  |

Definition at line 1021 of file Func1.cpp.

## ◆ newProdFunction()

Func1 & newProdFunction | ( | Func1 & | f1,
|  | Func1 & | f2
| ) |  |

Definition at line 1069 of file Func1.cpp.

## ◆ newRatioFunction()

Func1 & newRatioFunction | ( | Func1 & | f1,
|  | Func1 & | f2
| ) |  |

Definition at line 1203 of file Func1.cpp.

## ◆ newCompositeFunction()

Func1 & newCompositeFunction | ( | Func1 & | f1,
|  | Func1 & | f2
| ) |  |

Definition at line 1248 of file Func1.cpp.

## ◆ newTimesConstFunction()

Func1 & newTimesConstFunction | ( | Func1 & | f,
|  | double | c
| ) |  |

Definition at line 1300 of file Func1.cpp.

## ◆ newPlusConstFunction()

Func1 & newPlusConstFunction | ( | Func1 & | f,
|  | double | c
| ) |  |

Definition at line 1333 of file Func1.cpp.

## ◆ basicSimpson()

double basicSimpson | ( | const Eigen::ArrayXd & | f,
|  | const Eigen::ArrayXd & | x
| ) |  |

Numerical integration of a function using Simpson's rule.

Only for odd number of points. This function is used only by calling simpson.

Vector x contains a monotonic sequence of grid points, and Vector f contains function values defined at these points. The size of x and f must be the same.

Parameters

  f | vector of function value
  x | vector of function coordinate

Definition at line 59 of file funcs.cpp.

## ◆ ida_rhs()

static int ida_rhs | ( | realtype | t,
|  | N_Vector | y,
|  | N_Vector | ydot,
|  | N_Vector | r,
|  | void * | f_data
| ) |  |
| static

Function called by IDA to evaluate the residual, given y and ydot.

IDA allows passing in a void* pointer to access external data. Instead of requiring the user to provide a residual function directly to IDA (which would require using the Sundials data types N_Vector, etc.), we define this function as the single function that IDA always calls. The real evaluation of the residual is done by an instance of a subclass of ResidEval, passed in to this function as a pointer in the parameters.

FROM IDA WRITEUP -> What the IDA solver expects as a return flag from its residual routines:

A IDAResFn res should return a value of 0 if successful, a positive value if a recoverable error occurred (e.g. yy has an illegal value), or a negative value if a nonrecoverable error occurred. In the latter case, the program halts. If a recoverable error occurred, the integrator will attempt to correct and retry.

Definition at line 47 of file IdasIntegrator.cpp.

## ◆ ida_err()

static void ida_err | ( | int | error_code,
|  | const char * | module,
|  | const char * | function,
|  | char * | msg,
|  | void * | eh_data
| ) |  |
| static

Function called by IDA when an error is encountered instead of writing to stdout.

Here, save the error message provided by IDA so that it can be included in the subsequently raised CanteraError.

Definition at line 56 of file IdasIntegrator.cpp.

## ◆ newPreconditioner()

shared_ptr< PreconditionerBase > newPreconditioner | ( | const string & | precon | ) |

Create a Preconditioner object of the specified type.

Definition at line 35 of file PreconditionerFactory.cpp.

## ◆ interp_est()

static int interp_est | ( | const string & | estString | ) |
| static

Utility function to assign an integer value from a string for the ElectrolyteSpeciesType field.

Parameters

  estString | input string that will be interpreted

Definition at line 256 of file DebyeHuckel.cpp.

## ◆ elementVectorsFromSymbols()

vector< string > elementVectorsFromSymbols | ( |  | ) |

Definition at line 204 of file Elements.cpp.

## ◆ elementSymbols()

const vector< string > & elementSymbols | ( |  | ) |

Get a vector of the atomic symbols of the elements defined in Cantera.

Since
  New in version 3.0

Definition at line 212 of file Elements.cpp.

## ◆ elementVectorsFromNames()

vector< string > elementVectorsFromNames | ( |  | ) |

Definition at line 219 of file Elements.cpp.

## ◆ elementNames()

const vector< string > & elementNames | ( |  | ) |

Get a vector of the names of the elements defined in Cantera.

Since
  New in version 3.0

Definition at line 227 of file Elements.cpp.

## ◆ mapAtomicWeights()

map< string, double > mapAtomicWeights | ( |  | ) |

Definition at line 232 of file Elements.cpp.

## ◆ elementWeights()

const map< string, double > & elementWeights | ( |  | ) |

Get a map with the element and isotope symbols and names as keys and weights as values.

This is a constant in the application so it is only generated once when it is first needed.

Since
  New in version 3.0

Definition at line 246 of file Elements.cpp.

## ◆ getElementWeight() [1/2]

double getElementWeight | ( | const string & | ename | ) |

Get the atomic weight of an element.

Get the atomic weight of an element defined in Cantera by its symbol or by its name. This includes the named isotopes defined in Cantera.

Parameters

  ename | String, name or symbol of the element

Returns
  The atomic weight of the element

Exceptions

  CanteraError | if a match for ename is not found or the element has no stable isotopes, and therefore no standard atomic weight

Definition at line 251 of file Elements.cpp.

## ◆ getElementWeight() [2/2]

double getElementWeight | ( | int | atomicNumber | ) |

Get the atomic weight of an element.

Get the atomic weight of an element defined in Cantera by its atomic number. The named isotopes cannot be accessed from this function, since the atomic number of the isotopes is the same as the regular element from which they are derived.

Parameters

  atomicNumber | Integer, atomic number of the element

Returns
  The atomic weight of the element

Exceptions

  IndexError | if the passed atomic number less than 1 or larger than the number of elements defined
  CanteraError | if the element has no stable isotopes, and therefore no standard atomic weight

Definition at line 275 of file Elements.cpp.

## ◆ getElementSymbol() [1/2]

string getElementSymbol | ( | const string & | ename | ) |

Get the symbol for an element.

Get the symbol for an element defined in Cantera by its name. This includes the named isotopes defined in Cantera.

Parameters

  ename | String, name of the element

Returns
  The symbol of the element in a string

Exceptions

  CanteraError | if a match for ename is not found

Definition at line 289 of file Elements.cpp.

## ◆ getElementSymbol() [2/2]

string getElementSymbol | ( | int | atomicNumber | ) |

Get the symbol for an element.

Get the symbol for an element defined in Cantera by its atomic number. The named isotopes cannot be accessed from this function, since the atomic number of the isotopes is the same as the regular element from which they are derived.

Parameters

  atomicNumber | Integer, atomic number of the element

Returns
  The symbol of the element in a string

Exceptions

  IndexError | if the passed atomic number less than 1 or larger than the number of elements defined

Definition at line 305 of file Elements.cpp.

## ◆ getElementName() [1/2]

string getElementName | ( | const string & | ename | ) |

Get the name of an element.

Get the name of an element defined in Cantera by its symbol. This includes the named isotopes defined in Cantera.

Parameters

  ename | String, symbol for the element

Returns
  The name of the element, in a string

Exceptions

  CanteraError | if a match for ename is not found

Definition at line 314 of file Elements.cpp.

## ◆ getElementName() [2/2]

string getElementName | ( | int | atomicNumber | ) |

Get the name of an element.

Get the name of an element defined in Cantera by its atomic number. The named isotopes cannot be accessed from this function, since the atomic number of the isotopes is the same as the regular element from which they are derived.

Parameters

  atomicNumber | Integer, atomic number of the element

Returns
  The name of the element, in a string

Exceptions

  CanteraError | IndexError if the passed atomic number less than 1 or larger than the number of elements defined

Definition at line 330 of file Elements.cpp.

## ◆ getAtomicNumber()

int getAtomicNumber | ( | const string & | ename | ) |

Get the atomic number for an element.

Get the atomic number of an element defined in Cantera by its symbol or name. This includes the named isotopes included in Cantera.

Parameters

  ename | String, name or symbol of the element

Returns
  The integer atomic number of the element

Exceptions

  CanteraError | if a match for ename is not found

Definition at line 339 of file Elements.cpp.

## ◆ numElementsDefined()

size_t numElementsDefined | ( |  | ) |

Get the number of named elements defined in Cantera.

This array excludes named isotopes

Since
  Type is `size_t` in Cantera 3.0

Definition at line 362 of file Elements.cpp.

## ◆ numIsotopesDefined()

size_t numIsotopesDefined | ( |  | ) |

Get the number of named isotopes defined in Cantera.

This array excludes the named elements

Since
  Type is `size_t` in Cantera 3.0

Definition at line 367 of file Elements.cpp.

## ◆ check_nParams()

static void check_nParams | ( | const string & | method,
|  | size_t | nParams,
|  | size_t | m_formPitzerTemp
| ) |  |
| static

Definition at line 328 of file HMWSoln.cpp.

## ◆ getSizedVector()

vector< double > getSizedVector | ( | const AnyMap & | item,
|  | const string & | key,
|  | size_t | nCoeffs
| ) |  |

Definition at line 558 of file HMWSoln.cpp.

## ◆ assignTrimmed()

void assignTrimmed | ( | AnyMap & | interaction,
|  | const string & | key,
|  | vector< double > & | values
| ) |  |

Definition at line 741 of file HMWSoln.cpp.

## ◆ factorOverlap()

static double factorOverlap | ( | const vector< string > & | elnamesVN,
|  | const vector< double > & | elemVectorN,
|  | const size_t | nElementsN,
|  | const vector< string > & | elnamesVI,
|  | const vector< double > & | elemVectorI,
|  | const size_t | nElementsI
| ) |  |
| static

Return the factor overlap.

Parameters

  elnamesVN |
  elemVectorN |
  nElementsN |
  elnamesVI |
  elemVectorI |
  nElementsI |

Definition at line 435 of file IonsFromNeutralVPSSTP.cpp.

## ◆ xlogx()

double xlogx | ( | double | x | ) |

Definition at line 43 of file MaskellSolidSolnPhase.cpp.

## ◆ newPDSS()

PDSS * newPDSS | ( | const string & | model | ) |

Definition at line 59 of file PDSSFactory.cpp.

## ◆ newSpecies()

unique_ptr< Species > newSpecies | ( | const AnyMap & | node | ) |

Create a new Species object from an AnyMap specification.

Definition at line 105 of file Species.cpp.

## ◆ getSpecies()

vector< shared_ptr< Species > > getSpecies | ( | const AnyValue & | items | ) |

Generate Species objects for each item (an AnyMap) in `items`.

Definition at line 143 of file Species.cpp.

## ◆ newSpeciesThermoInterpType() [1/2]

SpeciesThermoInterpType * newSpeciesThermoInterpType | ( | int | type,
|  | double | tlow,
|  | double | thigh,
|  | double | pref,
|  | const double * | coeffs
| ) |  |

Create a new SpeciesThermoInterpType object given a corresponding constant.

Parameters

  type | A constant specifying the type to be created
  tlow | The lowest temperature at which the parameterization is valid
  thigh | The highest temperature at which the parameterization is valid
  pref | The reference pressure for the parameterization
  coeffs | The array of coefficients for the parameterization

Returns
  The pointer to the newly allocated SpeciesThermoInterpType object

Definition at line 27 of file SpeciesThermoFactory.cpp.

## ◆ newSpeciesThermoInterpType() [2/2]

SpeciesThermoInterpType * newSpeciesThermoInterpType | ( | const string & | type,
|  | double | tlow,
|  | double | thigh,
|  | double | pref,
|  | const double * | coeffs
| ) |  |

Create a new SpeciesThermoInterpType object given a string.

Parameters

  type | String name for the species thermo type
  tlow | The lowest temperature at which the parameterization is valid
  thigh | The highest temperature at which the parameterization is valid
  pref | The reference pressure for the parameterization
  coeffs | The array of coefficients for the parameterization

Returns
  the pointer to the newly allocated SpeciesThermoInterpType object

Definition at line 52 of file SpeciesThermoFactory.cpp.

## ◆ setupSpeciesThermo()

void setupSpeciesThermo | ( | SpeciesThermoInterpType & | thermo,
|  | const AnyMap & | node
| ) |  |

Definition at line 80 of file SpeciesThermoFactory.cpp.

## ◆ setupNasaPoly()

void setupNasaPoly | ( | NasaPoly2 & | thermo,
|  | const AnyMap & | node
| ) |  |

Definition at line 88 of file SpeciesThermoFactory.cpp.

## ◆ setupShomatePoly()

void setupShomatePoly | ( | ShomatePoly2 & | thermo,
|  | const AnyMap & | node
| ) |  |

Definition at line 108 of file SpeciesThermoFactory.cpp.

## ◆ setupConstCp()

void setupConstCp | ( | ConstCpPoly & | thermo,
|  | const AnyMap & | node
| ) |  |

Definition at line 128 of file SpeciesThermoFactory.cpp.

## ◆ setupNasa9Poly()

void setupNasa9Poly | ( | Nasa9PolyMultiTempRegion & | thermo,
|  | const AnyMap & | node
| ) |  |

Definition at line 144 of file SpeciesThermoFactory.cpp.

## ◆ setupMu0()

void setupMu0 | ( | Mu0Poly & | thermo,
|  | const AnyMap & | node
| ) |  |

Definition at line 163 of file SpeciesThermoFactory.cpp.

## ◆ newSpeciesThermo()

unique_ptr< SpeciesThermoInterpType > newSpeciesThermo | ( | const AnyMap & | thermo_node | ) |

Create a new SpeciesThermoInterpType object using the specified parameters.

Parameters

  thermo_node | An AnyMap specifying the model type (for example, "NASA") and any model parameters necessary to instantiate the object

Definition at line 186 of file SpeciesThermoFactory.cpp.

## ◆ addDefaultElements()

void addDefaultElements | ( | ThermoPhase & | thermo,
|  | const vector< string > & | element_names
| ) |  |

Definition at line 228 of file ThermoFactory.cpp.

## ◆ addElements()

void addElements | ( | ThermoPhase & | thermo,
|  | const vector< string > & | element_names,
|  | const AnyValue & | elements,
|  | bool | allow_default
| ) |  |

Definition at line 234 of file ThermoFactory.cpp.

## ◆ addSpecies()

void addSpecies | ( | ThermoPhase & | thermo,
|  | const AnyValue & | names,
|  | const AnyValue & | species
| ) |  |

Definition at line 254 of file ThermoFactory.cpp.

## ◆ quadInterp()

double quadInterp | ( | double | x0,
|  | double * | x,
|  | double * | y
| ) |  |

Definition at line 22 of file MMCollisionInt.cpp.

## ◆ Frot()

double Frot | ( | double | tr,
|  | double | sqtr
| ) |  |

The Parker temperature correction to the rotational collision number.

Parameters

  tr | Reduced temperature \( \epsilon/kT \)
  sqtr | square root of tr.

Definition at line 27 of file MultiTransport.cpp.

## ◆ setupGasTransportData()

void setupGasTransportData | ( | GasTransportData & | tr,
|  | const AnyMap & | node
| ) |  |

Definition at line 161 of file TransportData.cpp.

## ◆ newTransportData()

unique_ptr< TransportData > newTransportData | ( | const AnyMap & | node | ) |

Create a new TransportData object from an AnyMap specification.

Definition at line 179 of file TransportData.cpp.

## ◆ newTransportMgr()

Transport * newTransportMgr | ( | const string & | model = `""`,
|  | ThermoPhase * | thermo = `0`,
|  | int | log_level = `0`
| ) |  |

Build a new transport manager using a transport manager that may not be the same as in the phase description and return a base class pointer to it.

Parameters

  model | String name for the transport manager
  thermo | ThermoPhase object
  log_level | log level

Deprecated:
  To be removed after Cantera 3.0; superseded by newTransport()

Definition at line 109 of file TransportFactory.cpp.

## ◆ newTransport()

shared_ptr< Transport > newTransport | ( | ThermoPhase * | thermo,
|  | const string & | model = `"default"`
| ) |  |

Create a new Transport instance.

Parameters

  thermo | the ThermoPhase object associated with the phase
  model | name of transport model; if "default", the default transport model for the ThermoPhase object is created

Returns
  a Transport object for the phase

Deprecated:
  To be removed after Cantera 3.0; superseded by newTransport()

Definition at line 128 of file TransportFactory.cpp.

## ◆ getValue()

template<class T , class U >

const U & getValue | ( | const map< T, U > & | m,
|  | const T & | key,
|  | const U & | default_val
| ) |  |

Const accessor for a value in a map.

Definition at line 190 of file utilities.h.

## ◆ _multiply()

template<class InputIter , class Vec1 , class Vec2 >

static void _multiply | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | input,
|  | Vec2 & | output
| ) |  |
| inline static

Definition at line 480 of file StoichManager.h.

## ◆ _incrementSpecies()

template<class InputIter , class Vec1 , class Vec2 >

static void _incrementSpecies | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | input,
|  | Vec2 & | output
| ) |  |
| inline static

Definition at line 489 of file StoichManager.h.

## ◆ _decrementSpecies()

template<class InputIter , class Vec1 , class Vec2 >

static void _decrementSpecies | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | input,
|  | Vec2 & | output
| ) |  |
| inline static

Definition at line 498 of file StoichManager.h.

## ◆ _incrementReactions()

template<class InputIter , class Vec1 , class Vec2 >

static void _incrementReactions | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | input,
|  | Vec2 & | output
| ) |  |
| inline static

Definition at line 507 of file StoichManager.h.

## ◆ _decrementReactions()

template<class InputIter , class Vec1 , class Vec2 >

static void _decrementReactions | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | input,
|  | Vec2 & | output
| ) |  |
| inline static

Definition at line 516 of file StoichManager.h.

## ◆ _resizeCoeffs()

template<class InputIter , class Indices >

static void _resizeCoeffs | ( | InputIter | begin,
|  | InputIter | end,
|  | Indices & | ix
| ) |  |
| inline static

Definition at line 525 of file StoichManager.h.

## ◆ _derivatives()

template<class InputIter , class Vec1 , class Vec2 , class Vec3 >

static void _derivatives | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | S,
|  | const Vec2 & | R,
|  | Vec3 & | jac
| ) |  |
| inline static

Definition at line 533 of file StoichManager.h.

## ◆ _scale()

template<class InputIter , class Vec1 , class Vec2 >

static void _scale | ( | InputIter | begin,
|  | InputIter | end,
|  | const Vec1 & | in,
|  | Vec2 & | out,
|  | double | factor
| ) |  |
| inline static

Definition at line 542 of file StoichManager.h.

## ◆ ct_dgemv()

void ct_dgemv | ( | ctlapack::storage_t | storage,
|  | ctlapack::transpose_t | trans,
|  | int | m,
|  | int | n,
|  | doublereal | alpha,
|  | const doublereal * | a,
|  | int | lda,
|  | const doublereal * | x,
|  | int | incX,
|  | doublereal | beta,
|  | doublereal * | y,
|  | int | incY
| ) |  |
| inline

Definition at line 217 of file ctlapack.h.

## ◆ ct_dgbsv()

void ct_dgbsv | ( | int | n,
|  | int | kl,
|  | int | ku,
|  | int | nrhs,
|  | doublereal * | a,
|  | int | lda,
|  | integer * | ipiv,
|  | doublereal * | b,
|  | int | ldb,
|  | int & | info
| ) |  |
| inline

Definition at line 235 of file ctlapack.h.

## ◆ ct_dgelss()

void ct_dgelss | ( | size_t | m,
|  | size_t | n,
|  | size_t | nrhs,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | b,
|  | size_t | ldb,
|  | doublereal * | s,
|  | doublereal | rcond,
|  | size_t & | rank,
|  | doublereal * | work,
|  | int & | lwork,
|  | int & | info
| ) |  |
| inline

Definition at line 246 of file ctlapack.h.

## ◆ ct_dgbtrf()

void ct_dgbtrf | ( | size_t | m,
|  | size_t | n,
|  | size_t | kl,
|  | size_t | ku,
|  | doublereal * | a,
|  | size_t | lda,
|  | integer * | ipiv,
|  | int & | info
| ) |  |
| inline

Definition at line 267 of file ctlapack.h.

## ◆ ct_dgbtrs()

void ct_dgbtrs | ( | ctlapack::transpose_t | trans,
|  | size_t | n,
|  | size_t | kl,
|  | size_t | ku,
|  | size_t | nrhs,
|  | doublereal * | a,
|  | size_t | lda,
|  | integer * | ipiv,
|  | doublereal * | b,
|  | size_t | ldb,
|  | int & | info
| ) |  |
| inline

Definition at line 280 of file ctlapack.h.

## ◆ ct_dgetrf()

void ct_dgetrf | ( | size_t | m,
|  | size_t | n,
|  | doublereal * | a,
|  | size_t | lda,
|  | integer * | ipiv,
|  | int & | info
| ) |  |
| inline

Definition at line 303 of file ctlapack.h.

## ◆ ct_dgetrs()

void ct_dgetrs | ( | ctlapack::transpose_t | trans,
|  | size_t | n,
|  | size_t | nrhs,
|  | doublereal * | a,
|  | size_t | lda,
|  | integer * | ipiv,
|  | doublereal * | b,
|  | size_t | ldb,
|  | int & | info
| ) |  |
| inline

Definition at line 314 of file ctlapack.h.

## ◆ ct_dgetri()

void ct_dgetri | ( | int | n,
|  | doublereal * | a,
|  | int | lda,
|  | integer * | ipiv,
|  | doublereal * | work,
|  | int | lwork,
|  | int & | info
| ) |  |
| inline

Definition at line 333 of file ctlapack.h.

## ◆ ct_dscal()

void ct_dscal | ( | int | n,
|  | doublereal | da,
|  | doublereal * | dx,
|  | int | incx
| ) |  |
| inline

Definition at line 340 of file ctlapack.h.

## ◆ ct_dgeqrf()

void ct_dgeqrf | ( | size_t | m,
|  | size_t | n,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | tau,
|  | doublereal * | work,
|  | size_t | lwork,
|  | int & | info
| ) |  |
| inline

Definition at line 346 of file ctlapack.h.

## ◆ ct_dormqr()

void ct_dormqr | ( | ctlapack::side_t | rlside,
|  | ctlapack::transpose_t | trans,
|  | size_t | m,
|  | size_t | n,
|  | size_t | k,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | tau,
|  | doublereal * | c,
|  | size_t | ldc,
|  | doublereal * | work,
|  | size_t | lwork,
|  | int & | info
| ) |  |
| inline

Definition at line 358 of file ctlapack.h.

## ◆ ct_dtrtrs()

void ct_dtrtrs | ( | ctlapack::upperlower_t | uplot,
|  | ctlapack::transpose_t | trans,
|  | const char * | diag,
|  | size_t | n,
|  | size_t | nrhs,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | b,
|  | size_t | ldb,
|  | int & | info
| ) |  |
| inline

Definition at line 380 of file ctlapack.h.

## ◆ ct_dtrcon()

doublereal ct_dtrcon | ( | const char * | norm,
|  | ctlapack::upperlower_t | uplot,
|  | const char * | diag,
|  | size_t | n,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | work,
|  | int * | iwork,
|  | int & | info
| ) |  |
| inline

- `work` must be dimensioned equal to greater than 3N
- `iwork` must be dimensioned equal to or greater than N

Definition at line 407 of file ctlapack.h.

## ◆ ct_dpotrf()

void ct_dpotrf | ( | ctlapack::upperlower_t | uplot,
|  | size_t | n,
|  | doublereal * | a,
|  | size_t | lda,
|  | int & | info
| ) |  |
| inline

Definition at line 433 of file ctlapack.h.

## ◆ ct_dpotrs()

void ct_dpotrs | ( | ctlapack::upperlower_t | uplot,
|  | size_t | n,
|  | size_t | nrhs,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | b,
|  | size_t | ldb,
|  | int & | info
| ) |  |
| inline

Definition at line 449 of file ctlapack.h.

## ◆ ct_dgecon()

doublereal ct_dgecon | ( | const char | norm,
|  | size_t | n,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal | anorm,
|  | doublereal * | work,
|  | int * | iwork,
|  | int & | info
| ) |  |
| inline

Definition at line 468 of file ctlapack.h.

## ◆ ct_dgbcon()

doublereal ct_dgbcon | ( | const char | norm,
|  | size_t | n,
|  | size_t | kl,
|  | size_t | ku,
|  | doublereal * | a,
|  | size_t | ldab,
|  | int * | ipiv,
|  | doublereal | anorm,
|  | doublereal * | work,
|  | int * | iwork,
|  | int & | info
| ) |  |
| inline

Definition at line 489 of file ctlapack.h.

## ◆ ct_dlange()

doublereal ct_dlange | ( | const char | norm,
|  | size_t | m,
|  | size_t | n,
|  | doublereal * | a,
|  | size_t | lda,
|  | doublereal * | work
| ) |  |
| inline

Definition at line 513 of file ctlapack.h.

## Variable Documentation

## ◆ dir_mutex

std::mutex dir_mutex
| static

Mutex for input directory access.

Definition at line 33 of file application.cpp.

## ◆ app_mutex

std::mutex app_mutex
| static

Mutex for creating singletons within the application object.

Definition at line 36 of file application.cpp.

## ◆ msg_mutex

std::mutex msg_mutex
| static

Mutex for access to string messages.

Definition at line 85 of file application.cpp.

## ◆ stars

const char* stars
| static

Initial value:
= ("*****************************************"
"**************************************\n")

Definition at line 17 of file ctexceptions.cpp.

## ◆ BasisOptimize_print_lvl

int BasisOptimize_print_lvl = 0

External int that is used to turn on debug printing for the BasisOptimize program.

Set this to 1 if you want debug printing from BasisOptimize.

Definition at line 15 of file BasisOptimize.cpp.

## ◆ USEDBEFORE

const double USEDBEFORE = -1
| static

Definition at line 16 of file BasisOptimize.cpp.

## ◆ vcs_timing_print_lvl

int vcs_timing_print_lvl = 1

Global hook for turning on and off time printing.

Default is to allow printing. But, you can assign this to zero globally to turn off all time printing. This is helpful for test suite purposes where you are interested in differences in text files.

Definition at line 42 of file vcs_solve.cpp.

## ◆ DampFactor

const double DampFactor = sqrt(2.0)

Definition at line 127 of file MultiNewton.cpp.

## ◆ NDAMP

const size_t NDAMP = 7

Definition at line 128 of file MultiNewton.cpp.

## ◆ atomicWeightTable

static vector< atomicWeightData > atomicWeightTable
| static

atomicWeightTable is a vector containing the atomic weights database.

atomicWeightTable is a static variable with scope limited to this file. It can only be referenced via the functions in this file.

The size of the table is given by the initial instantiation.

Definition at line 64 of file Elements.cpp.

## ◆ isotopeWeightTable

static vector< isotopeWeightData > isotopeWeightTable
| static

Initial value:
{
{"D", "deuterium", 2.0141017781, 1},
{"Tr", "tritium", 3.0160492820, 1},
{"E", "electron", ElectronMass * Avogadro, 0},
}

isotopeWeightTable is a vector containing the atomic weights database.

isotopeWeightTable is a static variable with scope limited to this file. It can only be referenced via the functions in this file.

The size of the table is given by the initial instantiation.

Definition at line 194 of file Elements.cpp.

## ◆ T_c

const double T_c = 647.096

Critical Temperature value (kelvin)

Definition at line 21 of file WaterPropsIAPWS.cpp.

## ◆ P_c

const double P_c = 22.064E6
| static

Critical Pressure (Pascals)

Definition at line 23 of file WaterPropsIAPWS.cpp.

## ◆ Rho_c

const double Rho_c = 322.

Value of the Density at the critical point (kg m-3)

Definition at line 25 of file WaterPropsIAPWS.cpp.

## ◆ M_water

const double M_water = 18.015268
| static

Molecular Weight of water that is consistent with the paper (kg kmol-1)

Definition at line 27 of file WaterPropsIAPWS.cpp.

## ◆ R_water

const double R_water = 461.51805
| static

Definition at line 29 of file WaterPropsIAPWS.cpp.

## ◆ Rgas

const double Rgas = 8.314371E3
| static

Gas constant that is quoted in the paper.

Note, this is the Rgas value quoted in the paper. For consistency we have to use that value and not the updated value

The Ratio of R/M = 0.46151805 kJ kg-1 K-1 , which is Eqn. (6.3) in the paper.

Definition at line 38 of file WaterPropsIAPWS.cpp.

## ◆ DeltaDegree

const int DeltaDegree = 6

Definition at line 16 of file MMCollisionInt.cpp.

## ◆ Min_C_Internal

const double Min_C_Internal = 0.001
| static

Constant to compare dimensionless heat capacities against zero.

Definition at line 481 of file MultiTransport.cpp.

## ◆ TV

const int TV = 100

Definition at line 149 of file ct_defs.h.

## ◆ HP

const int HP = 101

Definition at line 149 of file ct_defs.h.

## ◆ SP

const int SP = 102

Definition at line 149 of file ct_defs.h.

## ◆ PV

const int PV = 103

Definition at line 149 of file ct_defs.h.

## ◆ TP

const int TP = 104

Definition at line 149 of file ct_defs.h.

## ◆ UV

const int UV = 105

Definition at line 149 of file ct_defs.h.

## ◆ ST

const int ST = 106

Definition at line 150 of file ct_defs.h.

## ◆ SV

const int SV = 107

Definition at line 150 of file ct_defs.h.

## ◆ UP

const int UP = 108

Definition at line 150 of file ct_defs.h.

## ◆ VH

const int VH = 109

Definition at line 150 of file ct_defs.h.

## ◆ TH

const int TH = 110

Definition at line 150 of file ct_defs.h.

## ◆ SH

const int SH = 111

Definition at line 150 of file ct_defs.h.

## ◆ PX

const int PX = 112

Definition at line 151 of file ct_defs.h.

## ◆ TX

const int TX = 113

Definition at line 151 of file ct_defs.h.

## ◆ VT

const int VT = -100

Definition at line 152 of file ct_defs.h.

## ◆ PH

const int PH = -101

Definition at line 152 of file ct_defs.h.

## ◆ PS

const int PS = -102

Definition at line 152 of file ct_defs.h.

## ◆ VP

const int VP = -103

Definition at line 152 of file ct_defs.h.

## ◆ PT

const int PT = -104

Definition at line 152 of file ct_defs.h.

## ◆ VU

const int VU = -105

Definition at line 153 of file ct_defs.h.

## ◆ TS

const int TS = -106

Definition at line 153 of file ct_defs.h.

## ◆ VS

const int VS = -107

Definition at line 153 of file ct_defs.h.

## ◆ PU

const int PU = -108

Definition at line 153 of file ct_defs.h.

## ◆ HV

const int HV = -109

Definition at line 153 of file ct_defs.h.

## ◆ HT

const int HT = -110

Definition at line 154 of file ct_defs.h.

## ◆ HS

const int HS = -111

Definition at line 154 of file ct_defs.h.

## ◆ XP

const int XP = -112

Definition at line 154 of file ct_defs.h.

## ◆ XT

const int XT = -113

Definition at line 154 of file ct_defs.h.

## ◆ SmallNumber

const double SmallNumber = 1.e-300

smallest number to compare to zero.

Definition at line 158 of file ct_defs.h.

## ◆ BigNumber

const double BigNumber = 1.e300

largest number to compare to inf.

Definition at line 160 of file ct_defs.h.

## ◆ Undef

const double Undef = -999.1234

Fairly random number to be used to initialize variables against to see if they are subsequently defined.

Definition at line 164 of file ct_defs.h.

## ◆ Tiny

const double Tiny = 1.e-20

Small number to compare differences of mole fractions against.

This number is used for the interconversion of mole fraction and mass fraction quantities when the molecular weight of a species is zero. It's also used for the matrix inversion of transport properties when mole fractions must be positive.

Definition at line 173 of file ct_defs.h.

## ◆ npos

const size_t npos = static_cast<size_t>(-1)

index returned by functions to indicate "no position"

Definition at line 195 of file ct_defs.h.

## ◆ FourierFuncType

const int FourierFuncType = 1

Definition at line 21 of file Func1.h.

## ◆ PolyFuncType

const int PolyFuncType = 2

Definition at line 22 of file Func1.h.

## ◆ ArrheniusFuncType

const int ArrheniusFuncType = 3

Definition at line 23 of file Func1.h.

## ◆ GaussianFuncType

const int GaussianFuncType = 4

Definition at line 24 of file Func1.h.

## ◆ SumFuncType

const int SumFuncType = 20

Definition at line 25 of file Func1.h.

## ◆ DiffFuncType

const int DiffFuncType = 25

Definition at line 26 of file Func1.h.

## ◆ ProdFuncType

const int ProdFuncType = 30

Definition at line 27 of file Func1.h.

## ◆ RatioFuncType

const int RatioFuncType = 40

Definition at line 28 of file Func1.h.

## ◆ PeriodicFuncType

const int PeriodicFuncType = 50

Definition at line 29 of file Func1.h.

## ◆ CompositeFuncType

const int CompositeFuncType = 60

Definition at line 30 of file Func1.h.

## ◆ TimesConstantFuncType

const int TimesConstantFuncType = 70

Definition at line 31 of file Func1.h.

## ◆ PlusConstantFuncType

const int PlusConstantFuncType = 80

Definition at line 32 of file Func1.h.

## ◆ SinFuncType

const int SinFuncType = 100

Definition at line 33 of file Func1.h.

## ◆ CosFuncType

const int CosFuncType = 102

Definition at line 34 of file Func1.h.

## ◆ ExpFuncType

const int ExpFuncType = 104

Definition at line 35 of file Func1.h.

## ◆ PowFuncType

const int PowFuncType = 106

Definition at line 36 of file Func1.h.

## ◆ ConstFuncType

const int ConstFuncType = 110

Definition at line 37 of file Func1.h.

## ◆ TabulatedFuncType

const int TabulatedFuncType = 120

Definition at line 38 of file Func1.h.

## ◆ DIAG

const int DIAG = 1

Definition at line 19 of file Integrator.h.

## ◆ DENSE

const int DENSE = 2

Definition at line 20 of file Integrator.h.

## ◆ NOJAC

const int NOJAC = 4

Definition at line 21 of file Integrator.h.

## ◆ JAC

const int JAC = 8

Definition at line 22 of file Integrator.h.

## ◆ GMRES

const int GMRES = 16

Definition at line 23 of file Integrator.h.

## ◆ BAND

const int BAND = 32

Definition at line 24 of file Integrator.h.

## ◆ c_NONE

const int c_NONE = 0

Definition at line 22 of file ResidEval.h.

## ◆ c_GE_ZERO

const int c_GE_ZERO = 1

Definition at line 23 of file ResidEval.h.

## ◆ c_GT_ZERO

const int c_GT_ZERO = 2

Definition at line 24 of file ResidEval.h.

## ◆ c_LE_ZERO

const int c_LE_ZERO = -1

Definition at line 25 of file ResidEval.h.

## ◆ c_LT_ZERO

const int c_LT_ZERO = -2

Definition at line 26 of file ResidEval.h.

## ◆ LeftInlet

const int LeftInlet = 1

Definition at line 21 of file Boundary1D.h.

## ◆ RightInlet

const int RightInlet = -1

Definition at line 22 of file Boundary1D.h.

## ◆ cFlowType

const int cFlowType = 50

Definition at line 15 of file Domain1D.h.

## ◆ cFreeFlow

const int cFreeFlow = 51

Definition at line 16 of file Domain1D.h.

## ◆ cAxisymmetricStagnationFlow

const int cAxisymmetricStagnationFlow = 52

Definition at line 17 of file Domain1D.h.

## ◆ cConnectorType

const int cConnectorType = 100

Definition at line 18 of file Domain1D.h.

## ◆ cSurfType

const int cSurfType = 102

Definition at line 19 of file Domain1D.h.

## ◆ cInletType

const int cInletType = 104

Definition at line 20 of file Domain1D.h.

## ◆ cSymmType

const int cSymmType = 105

Definition at line 21 of file Domain1D.h.

## ◆ cOutletType

const int cOutletType = 106

Definition at line 22 of file Domain1D.h.

## ◆ cEmptyType

const int cEmptyType = 107

Definition at line 23 of file Domain1D.h.

## ◆ cOutletResType

const int cOutletResType = 108

Definition at line 24 of file Domain1D.h.

## ◆ cPorousType

const int cPorousType = 109

Definition at line 25 of file Domain1D.h.

## ◆ cEST_solvent

const int cEST_solvent = 0

Electrolyte species type.

Definition at line 18 of file electrolytes.h.

## ◆ cEST_chargedSpecies

const int cEST_chargedSpecies = 1

Definition at line 19 of file electrolytes.h.

## ◆ cEST_weakAcidAssociated

const int cEST_weakAcidAssociated = 2

Definition at line 20 of file electrolytes.h.

## ◆ cEST_strongAcidAssociated

const int cEST_strongAcidAssociated = 3

Definition at line 26 of file electrolytes.h.

## ◆ cEST_polarNeutral

const int cEST_polarNeutral = 4

Definition at line 31 of file electrolytes.h.

## ◆ cEST_nonpolarNeutral

const int cEST_nonpolarNeutral = 5

Definition at line 32 of file electrolytes.h.

## ◆ PHSCALE_PITZER

const int PHSCALE_PITZER = 0

Scale to be used for the output of single-ion activity coefficients is that used by Pitzer.

This is the internal scale used within the code. One property is that the activity coefficients for the cation and anion of a single salt will be equal. This scale is the one presumed by the formulation of the single-ion activity coefficients described in this report.

Activity coefficients for species k may be altered between scales s1 to s2 using the following formula

\[ \ln(\gamma_k^{s2}) = \ln(\gamma_k^{s1}) + \frac{z_k}{z_j} \left( \ln(\gamma_j^{s2}) - \ln(\gamma_j^{s1}) \right) \]

where j is any one species.

Definition at line 44 of file MolalityVPSSTP.h.

## ◆ PHSCALE_NBS

const int PHSCALE_NBS = 1

Scale to be used for evaluation of single-ion activity coefficients is that used by the NBS standard for evaluation of the pH variable.

This is not the internal scale used within the code.

Activity coefficients for species k may be altered between scales s1 to s2 using the following formula

\[ \ln(\gamma_k^{s2}) = \ln(\gamma_k^{s1}) + \frac{z_k}{z_j} \left( \ln(\gamma_j^{s2}) - \ln(\gamma_j^{s1}) \right) \]

where j is any one species. For the NBS scale, j is equal to the Cl- species and

\[ \ln(\gamma_{Cl-}^{s2}) = \frac{-A_{\phi} \sqrt{I}}{1.0 + 1.5 \sqrt{I}} \]

This is the NBS pH scale, which is used in all conventional pH measurements. and is based on the Bates-Guggenheim equations.

Definition at line 69 of file MolalityVPSSTP.h.

## ◆ cAC_CONVENTION_MOLAR

const int cAC_CONVENTION_MOLAR = 0

Standard state uses the molar convention.

Definition at line 135 of file ThermoPhase.h.

## ◆ cAC_CONVENTION_MOLALITY

const int cAC_CONVENTION_MOLALITY = 1

Standard state uses the molality convention.

Definition at line 137 of file ThermoPhase.h.

## ◆ cSS_CONVENTION_TEMPERATURE

const int cSS_CONVENTION_TEMPERATURE = 0

Standard state uses the molar convention.

Definition at line 144 of file ThermoPhase.h.

## ◆ cSS_CONVENTION_VPSS

const int cSS_CONVENTION_VPSS = 1

Standard state uses the molality convention.

Definition at line 146 of file ThermoPhase.h.

## ◆ cSS_CONVENTION_SLAVE

const int cSS_CONVENTION_SLAVE = 2

Standard state thermodynamics is obtained from slave ThermoPhase objects.

Definition at line 148 of file ThermoPhase.h.