Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 1234]
►NReaktoro | The namespace containing all components of the Reaktoro library |
►Nglobal | |
►CAqueousOptions | A type used to describe all options related to aqueous models |
CDebyeHuckel | A type used to describe all options related to Debye-Huckel model |
CHKF | A type used to describe all options related to HKF model |
CDatabaseOptions | A type used to describe all options related to database management |
CExceptionOptions | A type used to describe all options related to exception handling |
CGlobalOptions | A type used to describe all options related to chemical calculations |
CInterpolationOptions | A type used to describe all options related to interpolation |
CAqueousMixture | A type used to describe an aqueous mixture |
CAqueousMixtureState | A type used to describe the state of an aqueous mixture |
CAqueousPhase | A type used to describe an aqueous phase |
CAqueousSpecies | A type to represent an aqueous species |
CAqueousSpeciesThermoData | A type for storing the thermodynamic data of an aqueous species |
CAqueousSpeciesThermoParamsHKF | A type for storing the parameters of the HKF equation of state for a aqueous species |
CBilinearInterpolator | A class used to calculate bilinear interpolation of data in two dimensions |
CChemicalEditor | Provides convenient operations to initialize ChemicalSystem and ReactionSystem instances |
CChemicalField | |
CChemicalModelResult | The result of a chemical model function that calculates the chemical properties of species |
CChemicalOutput | A type used to output sequence of chemical states to a file or terminal |
CChemicalPlot | A class used to create plots from sequence of chemical states |
CChemicalProperties | A class for querying thermodynamic and chemical properties of a chemical system |
CChemicalQuantity | A class that provides a convenient way to retrieve chemical quantities |
CChemicalScalarBase | A template base class to represent a chemical scalar and its partial derivatives |
CChemicalState | Provides a computational representation of the state of a multiphase chemical system |
CChemicalSystem | A class to represent a system and its attributes and properties |
CChemicalVectorBase | A template base class to represent a vector of chemical properties and their partial derivatives |
CComposition | A type that describes temperature in units of K |
CConnectivity | A type to describe the connectivity of elements, species, and phases in a chemical system |
►CCubicEOS | Defines a cubic equation of state and calculates thermodynamic properties of a fluid phase |
CInteractionParamsResult | Class to define or store Binary Interaction Parameters (BIPs) from a calculation or input |
CParams | Parameters to be passed to the Cubic Equation of State |
CResult | |
CDaeOptions | A struct that defines the options for the DaeSolver |
CDaeProblem | A class that defines a system of differential-algebraic equations (DAE) problem |
CDaeSolver | A class for solving differential-algebraic equations (DAE) |
CDatabase | Provides operations to retrieve physical and thermodynamic data of chemical species |
CDebyeHuckelParams | A class used to define the parameters in the Debye–Hückel activity model for aqueous mixtures |
CElement | A type used to define a chemical element and its attributes |
CEquilibriumBalance | A class that defines the mass balance conditions for equilibrium calculations |
CEquilibriumInverseProblem | A class used for defining an inverse equilibrium problem |
CEquilibriumInverseSolver | A class used for solving inverse equilibrium problems |
CEquilibriumOptions | The options for the equilibrium calculations |
CEquilibriumPath | A class that describes a path of equilibrium states |
CEquilibriumPathOptions | A struct that describes the options from an equilibrium path calculation |
CEquilibriumPathResult | A struct that describes the result of an equilibrium path calculation |
CEquilibriumProblem | A type that defines an equilibrium problem |
CEquilibriumReactions | A class that generates a system of equilibrium reactions written in terms of master and secondary species |
CEquilibriumResult | A type used to describe the result of an equilibrium calculation |
CEquilibriumSensitivity | A type that contains the sensitivity data of the equilibrium state |
CEquilibriumSolver | A solver class for solving chemical equilibrium calculations |
CException | Provides a convenient way to initialized an exception with helpful error messages |
CFilter | A type that describes an optimisation filter |
CFluidMixture | Provides a computational representation of a fluid (gaseous or liquid) mixture |
CFluidMixtureState | A type used to describe the state of a fluid (gaseous or liquid) mixture |
CFluidPhase | Class that defines a fluid (gaseous or liquid) phase |
CFluidSpecies | A type to describe the attributes of a fluids (gaseous or liquid) species |
CFluidSpeciesThermoData | A type for storing the thermodynamic data of fluid (gaseous or liquid) species |
CFluidSpeciesThermoParamsHKF | A type for storing the parameters of the HKF equation of state for a fluid (gaseous or liquid) species |
CFunctionG | A type used to describe the function g of the HKF model and its partial temperature and pressure derivatives |
CGaseousPhase | |
CGems | A wrapper class for Gems code |
CGemsOptions | A type that describes the options for Gems |
CGeneralMixture | Provide a base of implementation for the mixture classes |
CGnuplot | |
CHessian | A type to describe the Hessian of an objective function |
CInterface | A class used to interface other codes with Reaktoro |
CInterpreter | Used to interpret json files containing defined calculations |
CJacobian | A type to describe the Jacobian of an equality constraint function |
CKineticOptions | A struct to describe the options for a chemical kinetics calculation |
CKineticOutputOptions | |
CKineticPath | A class that conveniently solves kinetic path calculations |
CKineticProblem | A type that defines a kinetic problem |
CKineticResult | |
CKineticSolver | A class that represents a solver for chemical kinetics problems |
CKktMatrix | A type to represent the left-hand side matrix of a KKT equation |
CKktOptions | A type to describe the options for the KKT calculation |
CKktResult | A type to describe the result of a KKT calculation |
CKktSolution | A type to represent the solution vector of a KKT equation |
CKktSolver | A type to describe a solver for a KKT equation |
CKktVector | A type to represent the right-hand side vector of a KKT equation |
CLagrangeInterpolator | A class used to calculate interpolation of data in one dimension in any order |
CLiquidPhase | |
CLU | The class that computes the full pivoting Auxiliary struct for storing the LU decomposition of a matrix A |
CMesh | A class that defines the mesh for TransportSolver |
CMineralCatalyst | |
CMineralMechanism | |
CMineralMixture | Provide a computational representation of a mineral mixture |
CMineralMixtureState | A type used to describe the state of a mineral mixture |
CMineralPhase | Class that defines a mineral phase |
CMineralReaction | |
CMineralSpecies | A type to describe the attributes of a mineral species |
CMineralSpeciesThermoData | A type for storing the thermodynamic data of a mineral species |
CMineralSpeciesThermoParamsHKF | A type for storing the parameters of the HKF equation of state for a mineral species |
CMixtureState | A type used to describe the state of a mixture |
CNonlinearOptions | A type that describes the options for the solution of a non-linear problem |
CNonlinearOutput | A type that describes the options for the output of a non-linear problem calculation |
CNonlinearProblem | A type that describes the non-linear problem |
CNonlinearResidual | A type that describes the evaluation result of a non-linear residual function |
CNonlinearResult | A type that describes the result of a non-linear problem calculation |
CNonlinearSolver | A type that implements the Newton algorithm for solving non-linear problems |
CObjectiveResult | A type that describes the result of the evaluation of an objective function |
CODEOptions | A struct that defines the options for the ODESolver |
CODEProblem | A class that defines a system of ordinary differential equations (ODE) problem |
CODESolver | A wrapper class for CVODE , a library for solving ordinary differential equations |
COptimumOptions | A type that describes the options of a optimisation calculation |
COptimumOutputOptions | A type that describes the options for the output of a optimisation calculation |
COptimumParamsActNewton | |
COptimumParamsIpAction | |
COptimumParamsIpActive | |
COptimumParamsIpNewton | |
COptimumParamsIpOpt | |
COptimumParamsKarpov | |
COptimumParamsRefiner | |
COptimumParamsRegularization | A type that describes the regularization options for the optimisation calculation |
COptimumProblem | A type that describes the non-linear constrained optimisation problem |
COptimumResult | A type that describes the result of an optimisation calculation |
COptimumSolver | The friendly interface to all optimisation algorithms |
COptimumSolverActNewton | The class that implements the ActNewton algorithm using an active-set strategy |
COptimumSolverBase | The base class for all optimization algorithms |
COptimumSolverIpAction | The class that implements the IpAction algorithm using an interior-point method with a null-space KKT formulation |
COptimumSolverIpActive | The class that implements the IpActive algorithm using an interior-point method combined with an active-set strategy |
COptimumSolverIpBounds | The class that implements the IpBounds algorithm using an interior-point method |
COptimumSolverIpFeasible | The class that implements the IpFeasible algorithm using an interior-point method |
COptimumSolverIpNewton | The class that implements the IpNewton algorithm using an interior-point method |
COptimumSolverIpOpt | The class that implements the IpOpt algorithm using an interior-point method |
COptimumSolverKarpov | The class that implements an optimization algorithm based on Karpov's method |
COptimumSolverRefiner | The class that implements a refinement operation of the optimal solution |
COptimumSolverSimplex | The class that implements the simplex algorithm for linear programming problems |
COptimumState | A type that describes the state of an optimum solution |
COutputter | A utility class for printing the progress of iterative calculations |
COutputterOptions | |
CPartition | Provide a computational representation of the Partition of a chemical system |
CPhase | A type used to define a phase and its attributes |
CPhaseChemicalModelResultBase | The result of a chemical model function that calculates the chemical properties of species |
CPhaseThermoModelResultBase | The result of a thermodynamic model function that calculates the thermodynamic properties of species |
CPhreeqc | |
CPhreeqcDatabase | |
CPhreeqcEditor | |
CPressure | A type that describes pressure in units of Pa |
CReaction | Provide a computational representation of a chemical reaction |
CReactionEquation | Define a type that describes the equation of a reaction |
CReactionSystem | A class that represents a system of chemical reactions |
CReactionThermoInterpolatedProperties | A type for storing thermodynamic properties of a reaction over a range of temperatures and pressures |
CReactiveTransportSolver | Use this class for solving reactive transport problems |
CRegularizer | A type that represents a regularized optimization problem |
CRegularizerOptions | A type that describes the options for regularizing linear constraints |
CResidualEquilibriumConstraints | A type used to define the result of the evaluation of a system of equilibrium constraints |
CSmartEquilibriumOptions | The options for the smart equilibrium calculations |
CSmartEquilibriumResult | A type used to describe the result of a smart equilibrium calculation |
CSmartEquilibriumSolver | A class used to perform equilibrium calculations using machine learning scheme |
CSpecies | A type used to describe a species and its attributes |
CSpeciesElectroState | |
CSpeciesThermoData | A type for storing the thermodynamic data of general species |
CSpeciesThermoInterpolatedProperties | A type for storing thermodynamic properties of a species over a range of temperatures and pressures |
►CSpeciesThermoParamsPhreeqc | A type for storing Phreeqc parameters of a species |
CReactionParams | |
CSpeciesThermoState | Describe the thermodynamic state of a species |
CStringList | A class for representing a list of strings with special constructors |
CTemperature | A type that describes temperature in units of K |
CThermo | A type to calculate thermodynamic properties of chemical species |
CThermoModelResult | The result of a thermodynamic model function that calculates standard thermodynamic properties of species |
CThermoProperties | A class used for calculating standard thermodynamic properties of species in a chemical system |
CThermoScalarBase | A template base class to represent a thermodynamic scalar and its partial derivatives |
CThermoVectorBase | A template base class to represent a vector of thermodynamic scalars and their partial derivatives |
CTransportSolver | A class for solving advection-diffusion problem |
CTridiagonalMatrix | A class that defines a Tridiagonal Matrix used on TransportSolver |
CWaterElectroState | |
CWaterHelmholtzState | |
CWaterThermoState |