sourceCalculator.hpp

#ifndef ABLATELIBRARY_TCHEM_SOURCECALCULATOR_HPP
#define ABLATELIBRARY_TCHEM_SOURCECALCULATOR_HPP
 
#include <TChem_KineticModelGasConstData.hpp>
#include "eos/chemistryModel.hpp"
 
namespace tChemLib = TChem;
 
namespace ablate::eos {
class TChem;
}
 
namespace ablate::eos::tChem {
 
class SourceCalculator : public ChemistryModel::SourceCalculator, private utilities::Loggable<SourceCalculator> {
   public:
    enum class ReactorType { ConstantPressure, ConstantVolume };
 
    struct ChemistryConstraints {
        double dtMin = 1.0E-12;
        double dtMax = 1.0E-1;
        double dtDefault = 1E-4;
        double dtEstimateFactor = 1.5;
        double relToleranceTime = 1.0E-4;
        double absToleranceTime = 1.0E-8;
        double relToleranceNewton = 1.0E-6;
        double absToleranceNewton = 1.0E-10;
 
        int maxNumNewtonIterations = 100;
        int numTimeIterationsPerInterval = 100000;
        int jacobianInterval = 1;
        int maxAttempts = 4;
 
        // store the reactor type in the chemistry constrains
        ReactorType reactorType = ReactorType::ConstantPressure;
 
        // store an optional threshold temperature.  Only compute the reactions if the temperature is above thresholdTemperature
        double thresholdTemperature = 0.0;
 
        void Set(const std::shared_ptr<ablate::parameters::Parameters>&);
    };
 
    SourceCalculator(const std::vector<domain::Field>& fields, std::shared_ptr<TChem> tChemEos, ChemistryConstraints constraints, const ablate::domain::Range& cellRange);
 
    void ComputeSource(const ablate::domain::Range& cellRange, PetscReal time, PetscReal dt, Vec globalSolution) override;
 
    //    static void ComputeSource(SourceCalculator& sourceCalculator, const ablate::domain::Range& cellRange, PetscReal time, PetscReal dt, Vec globalSolution);
 
    void AddSource(const ablate::domain::Range& cellRange, Vec localXVec, Vec localFVec) override;
 
   private:
    ChemistryConstraints chemistryConstraints;
 
    std::shared_ptr<eos::TChem> eos;
    const size_t numberSpecies;
 
    PetscInt eulerId;
 
    PetscInt densityYiId;
 
    // tchem memory storage on host/device.  These will be sized for the number of active nodes in the domain
    real_type_2d_view stateDevice;
    real_type_2d_view_host stateHost;
 
    // store the end state for the device/host
    real_type_2d_view endStateDevice;
 
    // the time advance information
    time_advance_type_1d_view timeAdvanceDevice;
    time_advance_type timeAdvanceDefault{};
 
    // store host/device memory for computing state
    real_type_1d_view internalEnergyRefDevice;
    real_type_1d_view_host internalEnergyRefHost;
    real_type_2d_view perSpeciesScratchDevice;
 
    // store the source terms (density* energy + density*species)
    real_type_2d_view_host sourceTermsHost;
    real_type_2d_view sourceTermsDevice;
 
    // tolerance constraints
    real_type_2d_view tolTimeDevice;
    real_type_1d_view tolNewtonDevice;
    real_type_2d_view facDevice;
 
    // store the time and delta for the ode solver
    real_type_1d_view timeViewDevice;
    real_type_1d_view dtViewDevice;
 
    // Hard code some values needed for the constant volume reactor
    static inline constexpr bool solveTla = false;   // do not calculate tangent linear approximation (TLA) for the const volume reactions
    static inline constexpr real_type thetaTla = 0;  // this is not used when solveTla is false
 
    // store device specific kineticModelGasConstants
    tChemLib::KineticModelConstData<typename Tines::UseThisDevice<exec_space>::type> kineticModelGasConstDataDevice;
    kmd_type_1d_view_host kineticModelDataClone;
    Kokkos::View<KineticModelGasConstData<typename Tines::UseThisDevice<exec_space>::type>*, typename Tines::UseThisDevice<exec_space>::type> kineticModelGasConstDataDevices;
};
 
std::ostream& operator<<(std::ostream& os, const SourceCalculator::ReactorType& v);
 
std::istream& operator>>(std::istream& is, SourceCalculator::ReactorType& v);
 
}  // namespace ablate::eos::tChem
 
#endif  // ABLATELIBRARY_BATCHSOURCE_HPP