Cantera  3.0.0
Loading...
Searching...
No Matches
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 Applicationapp ()
 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< InterfacenewInterface (const string &infile, const string &name="", const vector< string > &adjacent={})
 Create and initialize a new Interface from an input file.
 
shared_ptr< InterfacenewInterface (const string &infile, const string &name, const vector< shared_ptr< Solution > > &adjacent)
 Create and initialize a new Interface from an input file.
 
shared_ptr< InterfacenewInterface (AnyMap &phaseNode, const AnyMap &rootNode=AnyMap(), const vector< shared_ptr< Solution > > &adjacent={})
 Create and initialize a new Interface from AnyMap objects.
 
shared_ptr< SolutionnewSolution (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< SolutionnewSolution (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< SolutionnewSolution (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)
 
AnyMapopenField (AnyMap &root, const string &name)
 
const AnyMaplocateField (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)
 
KineticsnewKineticsMgr (const string &model)
 Create a new kinetics manager.
 
shared_ptr< KineticsnewKinetics (const string &model)
 Create a new Kinetics instance.
 
shared_ptr< KineticsnewKinetics (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< KineticsnewKinetics (const vector< ThermoPhase * > &phases, const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
 Create a new kinetics manager, initialize it, and add reactions.
 
shared_ptr< KineticsnewKinetics (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< KineticsnewKinetics (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< ReactionnewReaction (const string &type)
 Create a new empty Reaction object.
 
unique_ptr< ReactionnewReaction (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< ReactionRatenewReactionRate (const string &type)
 Create a new empty ReactionRate object.
 
shared_ptr< ReactionRatenewReactionRate (const AnyMap &rate_node, const UnitStack &rate_units)
 Create a new Rate object using the specified parameters.
 
shared_ptr< ReactionRatenewReactionRate (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.
 
Func1newSumFunction (Func1 &f1, Func1 &f2)
 
shared_ptr< Func1newSumFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
 Sum of two functions.
 
Func1newDiffFunction (Func1 &f1, Func1 &f2)
 
shared_ptr< Func1newDiffFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
 Difference of two functions.
 
Func1newProdFunction (Func1 &f1, Func1 &f2)
 
shared_ptr< Func1newProdFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
 Product of two functions.
 
Func1newRatioFunction (Func1 &f1, Func1 &f2)
 
shared_ptr< Func1newRatioFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
 Ratio of two functions.
 
Func1newCompositeFunction (Func1 &f1, Func1 &f2)
 
shared_ptr< Func1newCompositeFunction (shared_ptr< Func1 > f1, shared_ptr< Func1 > f2)
 Composite of two functions.
 
Func1newTimesConstFunction (Func1 &f, double c)
 
shared_ptr< Func1newTimesConstFunction (shared_ptr< Func1 > f1, double c)
 Product of function and constant.
 
Func1newPlusConstFunction (Func1 &f, double c)
 
shared_ptr< Func1newPlusConstFunction (shared_ptr< Func1 > f1, double c)
 Sum of function and constant.
 
shared_ptr< Func1newFunc1 (const string &func1Type, double coeff=1.)
 Create a new simple functor object (see Simple Functors).
 
shared_ptr< Func1newFunc1 (const string &func1Type, const vector< double > &params)
 Create a new advanced functor object (see Advanced Functors).
 
shared_ptr< Func1newFunc1 (const string &func1Type, const shared_ptr< Func1 > f1, const shared_ptr< Func1 > f2)
 Create a new compound functor object (see Compound Functors).
 
shared_ptr< Func1newFunc1 (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.
 
IntegratornewIntegrator (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< PreconditionerBasenewPreconditioner (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)
 
PDSSnewPDSS (const string &model)
 
unique_ptr< SpeciesnewSpecies (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.
 
SpeciesThermoInterpTypenewSpeciesThermoInterpType (int type, double tlow, double thigh, double pref, const double *coeffs)
 Create a new SpeciesThermoInterpType object given a corresponding constant.
 
SpeciesThermoInterpTypenewSpeciesThermoInterpType (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< SpeciesThermoInterpTypenewSpeciesThermo (const AnyMap &thermo_node)
 Create a new SpeciesThermoInterpType object using the specified parameters.
 
ThermoPhasenewThermoPhase (const string &model)
 Create a new ThermoPhase instance.
 
shared_ptr< ThermoPhasenewThermoModel (const string &model)
 Create a new ThermoPhase instance.
 
shared_ptr< ThermoPhasenewThermo (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
 Create a new ThermoPhase object and initialize it.
 
shared_ptr< ThermoPhasenewThermo (const string &infile, const string &id="")
 Create and Initialize a ThermoPhase object from an input file.
 
unique_ptr< ThermoPhasenewPhase (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
 Create a new ThermoPhase object and initialize it.
 
ThermoPhasenewPhase (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< TransportDatanewTransportData (const AnyMap &node)
 Create a new TransportData object from an AnyMap specification.
 
TransportnewTransportMgr (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< TransportnewTransport (shared_ptr< ThermoPhase > thermo, const string &model="default")
 Create a new Transport instance.
 
shared_ptr< TransportnewTransport (ThermoPhase *thermo, const string &model="default")
 Create a new Transport instance.
 
TransportnewDefaultTransportMgr (ThermoPhase *thermo, int loglevel=0)
 Create a new transport manager instance.
 
FlowDevicenewFlowDevice (const string &model)
 Create a FlowDevice object of the specified type.
 
shared_ptr< FlowDevicenewFlowDevice3 (const string &model)
 Create a FlowDevice object of the specified type.
 
ReactorBasenewReactor (const string &model)
 Create a Reactor object of the specified type.
 
shared_ptr< ReactorBasenewReactor3 (const string &model)
 Create a Reactor object of the specified type.
 
WallBasenewWall (const string &model)
 Create a WallBase object of the specified type.
 
shared_ptr< WallBasenewWall3 (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 >
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 >
poly6 (D x, R *c)
 Templated evaluation of a polynomial of order 6.
 
template<class D , class R >
poly8 (D x, R *c)
 Templated evaluation of a polynomial of order 8.
 
template<class D , class R >
poly5 (D x, R *c)
 Templated evaluation of a polynomial of order 5.
 
template<class D , class R >
poly4 (D x, R *c)
 Evaluates a polynomial of order 4.
 
template<class D , class 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>
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< atomicWeightDataatomicWeightTable
 atomicWeightTable is a vector containing the atomic weights database.
 
static vector< isotopeWeightDataisotopeWeightTable
 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

Definition at line 613 of file Falloff.h.

◆ 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

Definition at line 336 of file Reaction.h.

◆ FalloffReaction3

Definition at line 337 of file Reaction.h.

◆ ThirdBodyCalc3

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

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

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
sReference to the ostream to write to
mObject 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
mMatrix
ascalar

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
nameName to be used in the exception message if the check fails
valuesArray of N values to be checked
NNumber 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
extTypeSpecifies the interface / language of the extension, for example "python"
nameSpecifies 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
sostream
xReference 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
vecvector 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
speciesStatusSpecies status integer representing the type of the species.
lengthMaximum 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
d1first double
d2second 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
typestring 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_nodeAnyMap node describing reaction.
kinkinetics 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
sostream to print the matrix out to
mMatrix 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
ADense matrix to be factored
bRHS(s) to be solved.
nrhsNumber of right hand sides to solve
ldbLeading 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
ADense matrix to be factored
bDense 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]ADense Matrix A with M rows and N columns
[in]bvector b with length N
[out]prodvector 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]ADense Matrix A with M rows and N columns
[in]bvector b with length N
[out]prodvector 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
AInvert the matrix A and store it back in place
nnSize 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
fvector of function value
xvector 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
estStringinput 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
enameString, name or symbol of the element
Returns
The atomic weight of the element
Exceptions
CanteraErrorif 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
atomicNumberInteger, atomic number of the element
Returns
The atomic weight of the element
Exceptions
IndexErrorif the passed atomic number less than 1 or larger than the number of elements defined
CanteraErrorif 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
enameString, name of the element
Returns
The symbol of the element in a string
Exceptions
CanteraErrorif 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
atomicNumberInteger, atomic number of the element
Returns
The symbol of the element in a string
Exceptions
IndexErrorif 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
enameString, symbol for the element
Returns
The name of the element, in a string
Exceptions
CanteraErrorif 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
atomicNumberInteger, atomic number of the element
Returns
The name of the element, in a string
Exceptions
CanteraErrorIndexError 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
enameString, name or symbol of the element
Returns
The integer atomic number of the element
Exceptions
CanteraErrorif 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
typeA constant specifying the type to be created
tlowThe lowest temperature at which the parameterization is valid
thighThe highest temperature at which the parameterization is valid
prefThe reference pressure for the parameterization
coeffsThe 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
typeString name for the species thermo type
tlowThe lowest temperature at which the parameterization is valid
thighThe highest temperature at which the parameterization is valid
prefThe reference pressure for the parameterization
coeffsThe 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_nodeAn 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
trReduced temperature \( \epsilon/kT \)
sqtrsquare 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
modelString name for the transport manager
thermoThermoPhase object
log_levellog 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
thermothe ThermoPhase object associated with the phase
modelname 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 
)
inlinestatic

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 
)
inlinestatic

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 
)
inlinestatic

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 
)
inlinestatic

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 
)
inlinestatic

Definition at line 516 of file StoichManager.h.

◆ _resizeCoeffs()

template<class InputIter , class Indices >
static void _resizeCoeffs ( InputIter  begin,
InputIter  end,
Indices &  ix 
)
inlinestatic

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 
)
inlinestatic

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 
)
inlinestatic

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.