Reaktoro
A unified framework for modeling chemically reactive systems

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 DebyeHuckel 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  A type that contains the values of a scalar field and its derivatives 
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 
CChemicalPropertiesAqueousPhase  A class for querying aqueous thermodynamic and chemical properties in 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 
►CChemicalSolver  A type that describes a solver for many chemical calculations 
CArray  A type that represents a onedimensional array of values 
CGrid  A type that represents a twodimensional array of values 
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 scalars 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 
CInteractionParamsArgs  
CInteractionParamsResult  
CResult  
CDaeOptions  A struct that defines the options for the DaeSolver 
CDaeProblem  A class that defines a system of differentialalgebraic equations (DAE) problem 
CDaeSolver  A class for solving differentialalgebraic equations (DAE) 
CDatabase  Provides operations to retrive 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 
CEosParamsPitzer  A struct that defines the interaction parameters for the Pitzer model described in Harvie, Møller, and Weare (1984) 
CEquilibriumBalance  A class that defines the mass balance conditions for equilibrium calculations 
CEquilibriumCompositionProblem  A type that contains the values of a scalar field and its derivatives 
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 
CFunctionG  A type used to describe the function g of the HKF model and its partial temperature and pressure derivatives 
CGaseousMixture  Provides a computational representation of a gaseous mixture 
CGaseousMixtureState  A type used to describe the state of a gaseous mixture 
CGaseousPhase  Class that defines a gaseous phase 
CGaseousSpecies  A type to describe the attributes of a gaseous species 
CGaseousSpeciesThermoData  A type for storing the thermodynamic data of a gaseous species 
CGaseousSpeciesThermoParamsHKF  A type for storing the parameters of the HKF equation of state for a gaseous species 
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 
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 lefthand 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 righthand side vector of a KKT equation 
CLagrangeInterpolator  A class used to calculate interpolation of data in one dimension in any order 
CLU  The class that computes the full pivoting Auxiliary struct for storing the LU decomposition of a matrix A 
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 an 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 nonlinear problem 
CNonlinearOutput  A type that describes the options for the output of a nonlinear problem calculation 
CNonlinearProblem  A type that describes the nonlinear problem 
CNonlinearResidual  A type that describes the evaluation result of a nonlinear residual function 
CNonlinearResult  A type that describes the result of a nonlinear problem calculation 
CNonlinearSolver  A type that implements the Newton algorithm for solving nonlinear 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 nonlinear 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 activeset strategy 
COptimumSolverBase  The base class for all optimization algorithms 
COptimumSolverIpAction  The class that implements the IpAction algorithm using an interiorpoint method with a nullspace KKT formulation 
COptimumSolverIpActive  The class that implements the IpActive algorithm using an interiorpoint method combined with an activeset strategy 
COptimumSolverIpBounds  The class that implements the IpBounds algorithm using an interiorpoint method 
COptimumSolverIpFeasible  The class that implements the IpFeasible algorithm using an interiorpoint method 
COptimumSolverIpNewton  The class that implements the IpNewton algorithm using an interiorpoint method 
COptimumSolverIpOpt  The class that implements the IpOpt algorithm using an interiorpoint 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 
COptional  A type for defining an optional instance 
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 
CPhaseChemicalModelResult  The result of the chemical model function that calculates the chemical properties of a phase 
CPhaseChemicalProperties  Defines a class for querying thermodynamic and chemical properties of a phase 
CPhaseThermoModelResult  The result of the thermodynamic model function that calculates the standard thermodynamic properties of a phase 
CPhaseThermoProperties  Defines a class for querying thermodynamic and chemical properties of a phase 
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 
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 
CSpecies  A type used to describe a species and its attributes 
CSpeciesElectroState  
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 
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 
CWaterElectroState  
CWaterHelmholtzState  
CWaterThermoState 