Reaktoro 
A unified framework for modeling chemically reactive systems
Class Hierarchy
This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 12]
 CReaktoro::global::AqueousOptionsA type used to describe all options related to aqueous models
 CReaktoro::AqueousSpeciesThermoDataA type for storing the thermodynamic data of an aqueous species
 CReaktoro::AqueousSpeciesThermoParamsHKFA type for storing the parameters of the HKF equation of state for a aqueous species
 CReaktoro::ChemicalSolver::Array< T >A type that represents a one-dimensional array of values
 CReaktoro::BilinearInterpolatorA class used to calculate bilinear interpolation of data in two dimensions
 CReaktoro::ChemicalEditorProvides convenient operations to initialize ChemicalSystem and ReactionSystem instances
 CReaktoro::ChemicalFieldA type that contains the values of a scalar field and its derivatives
 CReaktoro::ChemicalOutputA type used to output sequence of chemical states to a file or terminal
 CReaktoro::ChemicalPlotA class used to create plots from sequence of chemical states
 CReaktoro::ChemicalPropertiesA class for querying thermodynamic and chemical properties of a chemical system
 CReaktoro::ChemicalPropertiesAqueousPhaseA class for querying aqueous thermodynamic and chemical properties in a chemical system
 CReaktoro::ChemicalQuantityA class that provides a convenient way to retrieve chemical quantities
 CReaktoro::ChemicalScalarBase< V, N >A template base class to represent a chemical scalar and its partial derivatives
 CReaktoro::ChemicalScalarBase< double, Vector >
 CReaktoro::ChemicalSolverA type that describes a solver for many chemical calculations
 CReaktoro::ChemicalStateProvides a computational representation of the state of a multiphase chemical system
 CReaktoro::ChemicalSystemA class to represent a system and its attributes and properties
 CReaktoro::ChemicalVectorBase< V, T, P, N >A template base class to represent a vector of chemical scalars and their partial derivatives
 CReaktoro::ChemicalVectorBase< const Eigen::MatrixBase< Derived > &, decltype(zeros(0)), decltype(zeros(0)), decltype(identity(0, 0))>
 CReaktoro::ChemicalVectorBase< Vector, Vector, Vector, Matrix >
 CReaktoro::ConnectivityA type to describe the connectivity of elements, species, and phases in a chemical system
 CReaktoro::CubicEOSDefines a cubic equation of state and calculates thermodynamic properties of a fluid phase
 CReaktoro::DaeOptionsA struct that defines the options for the DaeSolver
 CReaktoro::DaeProblemA class that defines a system of differential-algebraic equations (DAE) problem
 CReaktoro::DaeSolverA class for solving differential-algebraic equations (DAE)
 CReaktoro::DatabaseProvides operations to retrive physical and thermodynamic data of chemical species
 CReaktoro::global::DatabaseOptionsA type used to describe all options related to database management
 CReaktoro::global::AqueousOptions::DebyeHuckelA type used to describe all options related to Debye-Huckel model
 CReaktoro::DebyeHuckelParamsA class used to define the parameters in the Debye–Hückel activity model for aqueous mixtures
 CReaktoro::ElementA type used to define a chemical element and its attributes
 CReaktoro::EosParamsPitzerA struct that defines the interaction parameters for the Pitzer model described in Harvie, Møller, and Weare (1984)
 CReaktoro::EquilibriumBalanceA class that defines the mass balance conditions for equilibrium calculations
 CReaktoro::EquilibriumCompositionProblemA type that contains the values of a scalar field and its derivatives
 CReaktoro::EquilibriumInverseProblemA class used for defining an inverse equilibrium problem
 CReaktoro::EquilibriumInverseSolverA class used for solving inverse equilibrium problems
 CReaktoro::EquilibriumOptionsThe options for the equilibrium calculations
 CReaktoro::EquilibriumPathA class that describes a path of equilibrium states
 CReaktoro::EquilibriumPathOptionsA struct that describes the options from an equilibrium path calculation
 CReaktoro::EquilibriumPathResultA struct that describes the result of an equilibrium path calculation
 CReaktoro::EquilibriumProblemA type that defines an equilibrium problem
 CReaktoro::EquilibriumReactionsA class that generates a system of equilibrium reactions written in terms of master and secondary species
 CReaktoro::EquilibriumResultA type used to describe the result of an equilibrium calculation
 CReaktoro::EquilibriumSensitivityA type that contains the sensitivity data of the equilibrium state
 CReaktoro::EquilibriumSolverA solver class for solving chemical equilibrium calculations
 CReaktoro::ExceptionProvides a convenient way to initialized an exception with helpful error messages
 CReaktoro::global::ExceptionOptionsA type used to describe all options related to exception handling
 CReaktoro::FilterA type that describes an optimisation filter
 CReaktoro::FunctionGA type used to describe the function g of the HKF model and its partial temperature and pressure derivatives
 CReaktoro::GaseousSpeciesThermoDataA type for storing the thermodynamic data of a gaseous species
 CReaktoro::GaseousSpeciesThermoParamsHKFA type for storing the parameters of the HKF equation of state for a gaseous species
 CReaktoro::GemsOptionsA type that describes the options for Gems
 CReaktoro::GeneralMixture< SpeciesType >Provide a base of implementation for the mixture classes
 CReaktoro::GeneralMixture< AqueousSpecies >
 CReaktoro::GeneralMixture< GaseousSpecies >
 CReaktoro::GeneralMixture< MineralSpecies >
 CReaktoro::global::GlobalOptionsA type used to describe all options related to chemical calculations
 CReaktoro::Gnuplot
 CReaktoro::ChemicalSolver::Grid< T >A type that represents a two-dimensional array of values
 CReaktoro::HessianA type to describe the Hessian of an objective function
 CReaktoro::global::AqueousOptions::HKFA type used to describe all options related to HKF model
 CReaktoro::CubicEOS::InteractionParamsArgs
 CReaktoro::CubicEOS::InteractionParamsResult
 CReaktoro::InterfaceA class used to interface other codes with Reaktoro
 CReaktoro::global::InterpolationOptionsA type used to describe all options related to interpolation
 CReaktoro::JacobianA type to describe the Jacobian of an equality constraint function
 CReaktoro::KineticOptionsA struct to describe the options for a chemical kinetics calculation
 CReaktoro::KineticOutputOptions
 CReaktoro::KineticPathA class that conveniently solves kinetic path calculations
 CReaktoro::KineticProblemA type that defines a kinetic problem
 CReaktoro::KineticResult
 CReaktoro::KineticSolverA class that represents a solver for chemical kinetics problems
 CReaktoro::KktMatrixA type to represent the left-hand side matrix of a KKT equation
 CReaktoro::KktOptionsA type to describe the options for the KKT calculation
 CReaktoro::KktResultA type to describe the result of a KKT calculation
 CReaktoro::KktSolutionA type to represent the solution vector of a KKT equation
 CReaktoro::KktSolverA type to describe a solver for a KKT equation
 CReaktoro::KktVectorA type to represent the right-hand side vector of a KKT equation
 CReaktoro::LagrangeInterpolatorA class used to calculate interpolation of data in one dimension in any order
 CReaktoro::LUThe class that computes the full pivoting Auxiliary struct for storing the LU decomposition of a matrix A
 CReaktoro::MineralCatalyst
 CReaktoro::MineralMechanism
 CReaktoro::MineralReaction
 CReaktoro::MineralSpeciesThermoDataA type for storing the thermodynamic data of a mineral species
 CReaktoro::MineralSpeciesThermoParamsHKFA type for storing the parameters of the HKF equation of state for a mineral species
 CReaktoro::MixtureStateA type used to describe the state of a mixture
 CReaktoro::NonlinearOptionsA type that describes the options for the solution of a non-linear problem
 CReaktoro::NonlinearProblemA type that describes the non-linear problem
 CReaktoro::NonlinearResidualA type that describes the evaluation result of a non-linear residual function
 CReaktoro::NonlinearResultA type that describes the result of a non-linear problem calculation
 CReaktoro::NonlinearSolverA type that implements the Newton algorithm for solving non-linear problems
 CReaktoro::ObjectiveResultA type that describes the result of the evaluation of an objective function
 CReaktoro::ODEOptionsA struct that defines the options for the ODESolver
 CReaktoro::ODEProblemA class that defines a system of ordinary differential equations (ODE) problem
 CReaktoro::ODESolverA wrapper class for CVODE, a library for solving ordinary differential equations
 CReaktoro::OptimumOptionsA type that describes the options of a optimisation calculation
 CReaktoro::OptimumParamsActNewton
 CReaktoro::OptimumParamsIpAction
 CReaktoro::OptimumParamsIpActive
 CReaktoro::OptimumParamsIpNewton
 CReaktoro::OptimumParamsIpOpt
 CReaktoro::OptimumParamsKarpov
 CReaktoro::OptimumParamsRefiner
 CReaktoro::OptimumProblemA type that describes the non-linear constrained optimisation problem
 CReaktoro::OptimumResultA type that describes the result of an optimisation calculation
 CReaktoro::OptimumSolverThe friendly interface to all optimisation algorithms
 CReaktoro::OptimumSolverBaseThe base class for all optimization algorithms
 CReaktoro::OptimumSolverIpFeasibleThe class that implements the IpFeasible algorithm using an interior-point method
 CReaktoro::OptimumStateA type that describes the state of an optimum solution
 CReaktoro::Optional< T >A type for defining an optional instance
 CReaktoro::Optional< Reaktoro::AqueousSpeciesThermoParamsHKF >
 CReaktoro::Optional< Reaktoro::GaseousSpeciesThermoParamsHKF >
 CReaktoro::Optional< Reaktoro::MineralSpeciesThermoParamsHKF >
 CReaktoro::Optional< Reaktoro::ReactionThermoInterpolatedProperties >
 CReaktoro::Optional< Reaktoro::SpeciesThermoInterpolatedProperties >
 CReaktoro::Optional< Reaktoro::SpeciesThermoParamsPhreeqc >
 CReaktoro::OutputterA utility class for printing the progress of iterative calculations
 CReaktoro::OutputterOptions
 CReaktoro::PartitionProvide a computational representation of the Partition of a chemical system
 CReaktoro::PhaseA type used to define a phase and its attributes
 CReaktoro::PhaseChemicalModelResultThe result of the chemical model function that calculates the chemical properties of a phase
 CReaktoro::PhaseChemicalPropertiesDefines a class for querying thermodynamic and chemical properties of a phase
 CReaktoro::PhaseThermoModelResultThe result of the thermodynamic model function that calculates the standard thermodynamic properties of a phase
 CReaktoro::PhaseThermoPropertiesDefines a class for querying thermodynamic and chemical properties of a phase
 CReaktoro::PhreeqcDatabase
 CReaktoro::PhreeqcEditor
 CReaktoro::ReactionProvide a computational representation of a chemical reaction
 CReaktoro::ReactionEquationDefine a type that describes the equation of a reaction
 CReaktoro::SpeciesThermoParamsPhreeqc::ReactionParams
 CReaktoro::ReactionSystemA class that represents a system of chemical reactions
 CReaktoro::ReactionThermoInterpolatedPropertiesA type for storing thermodynamic properties of a reaction over a range of temperatures and pressures
 CReaktoro::RegularizerA type that represents a regularized optimization problem
 CReaktoro::RegularizerOptionsA type that describes the options for regularizing linear constraints
 CReaktoro::ResidualEquilibriumConstraintsA type used to define the result of the evaluation of a system of equilibrium constraints
 CReaktoro::CubicEOS::Result
 CReaktoro::SpeciesA type used to describe a species and its attributes
 CReaktoro::SpeciesElectroState
 CReaktoro::SpeciesThermoInterpolatedPropertiesA type for storing thermodynamic properties of a species over a range of temperatures and pressures
 CReaktoro::SpeciesThermoParamsPhreeqcA type for storing Phreeqc parameters of a species
 CReaktoro::SpeciesThermoStateDescribe the thermodynamic state of a species
 CReaktoro::StringListA class for representing a list of strings with special constructors
 CReaktoro::ThermoA type to calculate thermodynamic properties of chemical species
 CReaktoro::ThermoPropertiesA class used for calculating standard thermodynamic properties of species in a chemical system
 CReaktoro::ThermoScalarBase< V >A template base class to represent a thermodynamic scalar and its partial derivatives
 CReaktoro::ThermoScalarBase< double >
 CReaktoro::ThermoVectorBase< V, T, P >A template base class to represent a vector of thermodynamic scalars and their partial derivatives
 CReaktoro::ThermoVectorBase< Vector, Vector, Vector >
 CReaktoro::WaterElectroState
 CReaktoro::WaterHelmholtzState
 CReaktoro::WaterThermoState