Reaktoro
A unified framework for modeling chemically reactive systems
Class Hierarchy
This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 12]
 CAqueousOptionsA type used to describe all options related to aqueous models
 CAqueousSpeciesThermoDataA type for storing the thermodynamic data of an aqueous species
 CAqueousSpeciesThermoParamsHKFA type for storing the parameters of the HKF equation of state for a aqueous species
 CBilinearInterpolatorA class used to calculate bilinear interpolation of data in two dimensions
 CChemicalEditorProvides convenient operations to initialize ChemicalSystem and ReactionSystem instances
 CChemicalField
 CChemicalModelResultThe result of a chemical model function that calculates the chemical properties of species
 CChemicalOutputA type used to output sequence of chemical states to a file or terminal
 CChemicalPlotA class used to create plots from sequence of chemical states
 CChemicalPropertiesA class for querying thermodynamic and chemical properties of a chemical system
 CChemicalQuantityA class that provides a convenient way to retrieve chemical quantities
 CChemicalScalarBase< V, N >A template base class to represent a chemical scalar and its partial derivatives
 CChemicalScalarBase< double, RowVector >
 CChemicalStateProvides a computational representation of the state of a multiphase chemical system
 CChemicalSystemA class to represent a system and its attributes and properties
 CChemicalVectorBase< V, T, P, N >A template base class to represent a vector of chemical properties and their partial derivatives
 CChemicalVectorBase< Vector, Vector, Vector, Matrix >
 CChemicalVectorBase< VectorConstRef, decltype(zeros(0)), decltype(zeros(0)), decltype(identity(0, 0))>
 CConnectivityA type to describe the connectivity of elements, species, and phases in a chemical system
 CCubicEOSDefines a cubic equation of state and calculates thermodynamic properties of a fluid phase
 CDaeOptionsA struct that defines the options for the DaeSolver
 CDaeProblemA class that defines a system of differential-algebraic equations (DAE) problem
 CDaeSolverA class for solving differential-algebraic equations (DAE)
 CDatabaseProvides operations to retrive physical and thermodynamic data of chemical species
 CDatabaseOptionsA type used to describe all options related to database management
 CAqueousOptions::DebyeHuckelA type used to describe all options related to Debye-Huckel model
 CDebyeHuckelParamsA class used to define the parameters in the Debye–Hückel activity model for aqueous mixtures
 CElementA type used to define a chemical element and its attributes
 CEquilibriumBalanceA class that defines the mass balance conditions for equilibrium calculations
 CEquilibriumInverseProblemA class used for defining an inverse equilibrium problem
 CEquilibriumInverseSolverA class used for solving inverse equilibrium problems
 CEquilibriumOptionsThe options for the equilibrium calculations
 CEquilibriumPathA class that describes a path of equilibrium states
 CEquilibriumPathOptionsA struct that describes the options from an equilibrium path calculation
 CEquilibriumPathResultA struct that describes the result of an equilibrium path calculation
 CEquilibriumProblemA type that defines an equilibrium problem
 CEquilibriumReactionsA class that generates a system of equilibrium reactions written in terms of master and secondary species
 CEquilibriumResultA type used to describe the result of an equilibrium calculation
 CEquilibriumSensitivityA type that contains the sensitivity data of the equilibrium state
 CEquilibriumSolverA solver class for solving chemical equilibrium calculations
 CExceptionProvides a convenient way to initialized an exception with helpful error messages
 CExceptionOptionsA type used to describe all options related to exception handling
 CFilterA type that describes an optimisation filter
 CFunctionGA type used to describe the function g of the HKF model and its partial temperature and pressure derivatives
 CGaseousSpeciesThermoDataA type for storing the thermodynamic data of a gaseous species
 CGaseousSpeciesThermoParamsHKFA type for storing the parameters of the HKF equation of state for a gaseous species
 CGemsOptionsA type that describes the options for Gems
 CGeneralMixture< SpeciesType >Provide a base of implementation for the mixture classes
 CGeneralMixture< AqueousSpecies >
 CGeneralMixture< GaseousSpecies >
 CGeneralMixture< MineralSpecies >
 CGlobalOptionsA type used to describe all options related to chemical calculations
 CGnuplot
 CHessianA type to describe the Hessian of an objective function
 CAqueousOptions::HKFA type used to describe all options related to HKF model
 CCubicEOS::InteractionParamsArgs
 CCubicEOS::InteractionParamsResult
 CInterfaceA class used to interface other codes with Reaktoro
 CInterpolationOptionsA type used to describe all options related to interpolation
 CInterpreterUsed to interpret json files containing defined calculations
 CJacobianA type to describe the Jacobian of an equality constraint function
 CKineticOptionsA struct to describe the options for a chemical kinetics calculation
 CKineticOutputOptions
 CKineticPathA class that conveniently solves kinetic path calculations
 CKineticProblemA type that defines a kinetic problem
 CKineticResult
 CKineticSolverA class that represents a solver for chemical kinetics problems
 CKktMatrixA type to represent the left-hand side matrix of a KKT equation
 CKktOptionsA type to describe the options for the KKT calculation
 CKktResultA type to describe the result of a KKT calculation
 CKktSolutionA type to represent the solution vector of a KKT equation
 CKktSolverA type to describe a solver for a KKT equation
 CKktVectorA type to represent the right-hand side vector of a KKT equation
 CLagrangeInterpolatorA class used to calculate interpolation of data in one dimension in any order
 CLUThe class that computes the full pivoting Auxiliary struct for storing the LU decomposition of a matrix A
 CMeshA class that defines the mesh for TransportSolver
 CMineralCatalyst
 CMineralMechanism
 CMineralReaction
 CMineralSpeciesThermoDataA type for storing the thermodynamic data of a mineral species
 CMineralSpeciesThermoParamsHKFA type for storing the parameters of the HKF equation of state for a mineral species
 CMixtureStateA type used to describe the state of a mixture
 CNonlinearOptionsA type that describes the options for the solution of a non-linear problem
 CNonlinearProblemA type that describes the non-linear problem
 CNonlinearResidualA type that describes the evaluation result of a non-linear residual function
 CNonlinearResultA type that describes the result of a non-linear problem calculation
 CNonlinearSolverA type that implements the Newton algorithm for solving non-linear problems
 CObjectiveResultA type that describes the result of the evaluation of an objective function
 CODEOptionsA struct that defines the options for the ODESolver
 CODEProblemA class that defines a system of ordinary differential equations (ODE) problem
 CODESolverA wrapper class for CVODE, a library for solving ordinary differential equations
 COptimumOptionsA type that describes the options of a optimisation calculation
 COptimumParamsActNewton
 COptimumParamsIpAction
 COptimumParamsIpActive
 COptimumParamsIpNewton
 COptimumParamsIpOpt
 COptimumParamsKarpov
 COptimumParamsRefiner
 COptimumProblemA type that describes the non-linear constrained optimisation problem
 COptimumResultA type that describes the result of an optimisation calculation
 COptimumSolverThe friendly interface to all optimisation algorithms
 COptimumSolverBaseThe base class for all optimization algorithms
 COptimumSolverIpFeasibleThe class that implements the IpFeasible algorithm using an interior-point method
 COptimumStateA type that describes the state of an optimum solution
 COptional< T >A type for defining an optional instance
 COptional< Reaktoro::AqueousSpeciesThermoParamsHKF >
 COptional< Reaktoro::GaseousSpeciesThermoParamsHKF >
 COptional< Reaktoro::MineralSpeciesThermoParamsHKF >
 COptional< Reaktoro::ReactionThermoInterpolatedProperties >
 COptional< Reaktoro::SpeciesThermoInterpolatedProperties >
 COptional< Reaktoro::SpeciesThermoParamsPhreeqc >
 COutputterA utility class for printing the progress of iterative calculations
 COutputterOptions
 CPartitionProvide a computational representation of the Partition of a chemical system
 CPhaseA type used to define a phase and its attributes
 CPhaseChemicalModelResultBase< ScalarType, VectorType >The result of a chemical model function that calculates the chemical properties of species
 CPhaseThermoModelResultBase< VectorType >The result of a thermodynamic model function that calculates the thermodynamic properties of species
 CPhreeqcDatabase
 CPhreeqcEditor
 CReactionProvide a computational representation of a chemical reaction
 CReactionEquationDefine a type that describes the equation of a reaction
 CSpeciesThermoParamsPhreeqc::ReactionParams
 CReactionSystemA class that represents a system of chemical reactions
 CReactionThermoInterpolatedPropertiesA type for storing thermodynamic properties of a reaction over a range of temperatures and pressures
 CReactiveTransportSolverUse this class for solving reactive transport problems
 CRegularizerA type that represents a regularized optimization problem
 CRegularizerOptionsA type that describes the options for regularizing linear constraints
 CResidualEquilibriumConstraintsA type used to define the result of the evaluation of a system of equilibrium constraints
 CCubicEOS::Result
 CSmartEquilibriumOptionsThe options for the smart equilibrium calculations
 CSmartEquilibriumResultA type used to describe the result of a smart equilibrium calculation
 CSmartEquilibriumSolverA class used to perform equilibrium calculations using machine learning scheme
 CSpeciesA type used to describe a species and its attributes
 CSpeciesElectroState
 CSpeciesThermoInterpolatedPropertiesA type for storing thermodynamic properties of a species over a range of temperatures and pressures
 CSpeciesThermoParamsPhreeqcA type for storing Phreeqc parameters of a species
 CSpeciesThermoStateDescribe the thermodynamic state of a species
 CStringListA class for representing a list of strings with special constructors
 CThermoA type to calculate thermodynamic properties of chemical species
 CThermoModelResultThe result of a thermodynamic model function that calculates standard thermodynamic properties of species
 CThermoPropertiesA class used for calculating standard thermodynamic properties of species in a chemical system
 CThermoScalarBase< V >A template base class to represent a thermodynamic scalar and its partial derivatives
 CThermoScalarBase< double >
 CThermoVectorBase< V, T, P >A template base class to represent a vector of thermodynamic scalars and their partial derivatives
 CThermoVectorBase< Vector, Vector, Vector >
 CTransportSolverA class for solving advection-diffusion problem
 CTridiagonalMatrixA class that defines a Tridiagonal Matrix used on TransportSolver
 CWaterElectroState
 CWaterHelmholtzState
 CWaterThermoState