sourceCalculatorZeroRK.hpp

#ifndef ABLATELIBRARY_ZERORK_SOURCECALCULATOR_HPP
#define ABLATELIBRARY_ZERORK_SOURCECALCULATOR_HPP
 
#include "eos/chemistryModel.hpp"
#include "zerork/mechanism.h"
#include "zerork/utilities.h"
#include "zerork_cfd_plugin.h"
 
namespace ablate::eos {
class zerorkEOS;
}
 
namespace ablate::eos::zerorkeos {
 
class SourceCalculator : public ChemistryModel::SourceCalculator, private utilities::Loggable<SourceCalculator> {
   public:
    enum class ReactorType { ConstantVolume, ConstantPressure };
 
    struct ChemistryConstraints {
        double relTolerance = 1.0E-6;
        double absTolerance = 1.0E-10;
 
        // set the limiter on chemical rates of progress,
        // for 1D flames set it to a value btw 1e18 and 1e20,
        // 1e16 starts changing the flameshape
        double stepLimiter = 1.0E200;
 
        // use cvode or SEULEX
        int useSEULEX = 0;
 
        // zerork output state
        int verbose = 0;
 
        // load balancing
        int loadBalance = 1;
 
        // load balancing
        int gpu = 0;
 
        // max iterations for cvode
        int dumpfailed = 0;
 
        // max iterations for cvode
        int maxiteration = 10000;
 
        // max iterations for cvode
        int cvode_num_retries = 5;
 
        // max iterations for cvode
        double cvode_retry_absolute_tolerance_adjustment = 0.1;
 
        // max iterations for cvode
        double cvode_retry_relative_tolerance_adjustment = 0.1;
 
        // iterative solution for approximate jacobian recommended to be set to 0 whenever dense is selected
        int iterative = 0;
 
        // For large mechanisms(~Nspec>100) it is recommended to use a sparse math jacobian option
        bool sparseJacobian = false;
 
        // timing log information
        bool timinglog = false;
 
        // store the reactor type in the chemistry constrains
        ReactorType reactorType = ReactorType::ConstantVolume;
 
        // store an optional threshold temperature.  Only compute the reactions if the temperature is above thresholdTemperature
        double thresholdTemperature = 0.0;
 
        int errorhandle = 0;
 
        bool dumpreactor = false;
 
        void Set(const std::shared_ptr<ablate::parameters::Parameters>&);
    };
    SourceCalculator(const std::vector<domain::Field>& fields, std::shared_ptr<zerorkEOS> zerorkEos, ablate::eos::zerorkeos::SourceCalculator::ChemistryConstraints constraints,
                     const ablate::domain::Range& cellRange);
 
    void ComputeSource(const ablate::domain::Range& cellRange, PetscReal time, PetscReal dt, Vec globalSolution) override;
 
    void AddSource(const ablate::domain::Range& cellRange, Vec localXVec, Vec localFVec) override;
 
   private:
    std::vector<double> sourceZeroRKAtI;
    zerork_handle zrm_handle;
    ablate::eos::zerorkeos::SourceCalculator::ChemistryConstraints chemistryConstraints;
    std::shared_ptr<eos::zerorkEOS> eos;
 
    const size_t numberSpecies;
 
    PetscInt eulerId;
 
    PetscInt densityYiId;
};
 
std::ostream& operator<<(std::ostream& os, const SourceCalculator::ReactorType& v);
 
std::istream& operator>>(std::istream& is, SourceCalculator::ReactorType& v);
 
}  // namespace ablate::eos::zerorkeos
 
#endif  // ABLATELIBRARY_BATCHSOURCE_HPP