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Reaktoro
A unified framework for modeling chemically reactive systems
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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 |
