CD_ItoKMCGodunovStepper.H

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/*
 * SPDX-FileCopyrightText: 2021-2026 SINTEF Energy Research
 *
 * SPDX-License-Identifier: GPL-3.0-or-later
 */
 
#ifndef CD_ITOKMCGODUNOVSTEPPER_H
#define CD_ITOKMCGODUNOVSTEPPER_H
 
// Our includes
#include <CD_ItoKMCStepper.H>
#include <CD_Timer.H>
#include <CD_ParticleContainer.H>
#include <CD_EBIntersection.H>
#include <CD_NamespaceHeader.H>
 
namespace Physics {
namespace ItoKMC {
 
template <typename I = ItoSolver, typename C = CdrCTU, typename R = McPhoto, typename F = FieldSolverGMG>
class ItoKMCGodunovStepper : public ItoKMCStepper<I, C, R, F>
{
public:
  ItoKMCGodunovStepper() = delete;
 
  ItoKMCGodunovStepper(RefCountedPtr<ItoKMCPhysics>& a_physics, bool a_parseOptions = true);
 
  virtual ~ItoKMCGodunovStepper();
 
  virtual Real
  computeDt() override;
 
  virtual Real
  advance(const Real a_dt) override;
 
  virtual void
  allocate() noexcept override;
 
  virtual void
  parseOptions() noexcept override;
 
  virtual void
  parseRuntimeOptions() noexcept override;
 
  virtual void
  preRegrid(const int a_lmin, const int a_oldFinestLevel) noexcept override;
 
  virtual void
  registerOperators() noexcept override;
 
  virtual void
  regrid(const int a_lmin, const int a_oldFinestLevel, const int a_newFinestLevel) noexcept override;
 
#ifdef CH_USE_HDF5
  virtual void
  writeCheckpointData(HDF5Handle& a_handle, const int a_lvl) const noexcept override;
#endif
 
#ifdef CH_USE_HDF5
  virtual void
  readCheckpointHeader(HDF5HeaderData& a_header) noexcept override;
#endif
 
#ifdef CH_USE_HDF5
  virtual void
  writeCheckpointHeader(HDF5HeaderData& a_header) const noexcept override;
#endif
 
#ifdef CH_USE_HDF5
  virtual void
  readCheckpointData(HDF5Handle& a_handle, const int a_lvl) noexcept override;
#endif
 
  virtual void
  prePlot() noexcept override;
 
  virtual void
  postPlot() noexcept override;
 
protected:
  enum class WhichAlgorithm
  {
    EulerMaruyama,
  };
 
  enum class DiffusiveDeposit
  {
    Inside,     
    Cancel,     
    ReflectRho, 
    ReflectIto, 
  };
 
  bool m_writeCheckpointParticles;
 
  bool m_rhoDaggerHop;
 
  bool m_readCheckpointParticles;
 
  bool m_canRegridOnRestart;
 
  bool m_extendConductivityEB;
 
  bool m_emitSecondaryParticlesBeforeReactions;
 
  DiffusiveDeposit m_diffusiveDeposit;
 
  WhichAlgorithm m_algorithm;
 
  Timer m_timer;
 
  int m_rhoFilterNum;
 
  int m_rhoFilterMaxStride;
 
  Real m_rhoFilterAlpha;
 
  int m_condFilterNum;
 
  int m_condFilterMaxStride;
 
  Real m_condFilterAlpha;
 
  Real m_maxFieldAbort;
 
  Real m_reactiveFieldCentering;
 
  Vector<RefCountedPtr<ParticleContainer<NoPayload>>> m_conductivityParticles;
 
  Vector<RefCountedPtr<ParticleContainer<NoPayload>>> m_irregularParticles;
 
  Vector<RefCountedPtr<ParticleContainer<NoPayload>>> m_rhoDaggerParticles;
 
  EBAMRCellData m_semiImplicitRhoCDR;
 
  EBAMRCellData m_semiImplicitConductivityCDR;
 
  EBAMRCellData m_scratchSemiImplicitRhoCDR;
 
  EBAMRCellData m_scratchSemiImplicitConductivityCDR;
 
  Vector<EBAMRCellData> m_cdrDivD;
 
  EBAMRCellData m_reactiveElectricField;
 
  EBAMRCellData m_particleScratchSum;
 
  EBAMRCellData m_particleScratchSolid;
 
  EBAMRCellData m_particleScratchSumSolid;
 
  EBAMRCellData m_fluidScratchSolid;
 
  virtual void
  allocateInternals() noexcept override;
 
  virtual void
  parseAlgorithm() noexcept;
 
  virtual void
  parseFiltering() noexcept;
 
  virtual void
  parseCheckpointParticles() noexcept;
 
  virtual void
  parseSecondaryEmissionSpecification() noexcept;
 
  virtual void
  parseDiffusiveDeposit() noexcept;
 
  virtual void
  parseRhoDaggerHop() noexcept;
 
  virtual RealVect
  reflectDiffusionHop(const RealVect&      a_pos,
                      const RealVect&      a_disp,
                      const Real           a_fOld,
                      const Real           a_dx,
                      const EBIntersection a_intersectionAlg,
                      const Real           a_bisectStep) const noexcept;
 
  virtual void
  parseReactiveFieldCentering() noexcept;
 
  virtual void
  setOldPositions() noexcept;
 
  virtual void
  barrier() const noexcept;
 
  virtual void
  remapPointParticles(Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_particles,
                      const SpeciesSubset                                  a_subset) noexcept;
 
  virtual void
  depositPointParticles(const Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_particles,
                        const SpeciesSubset                                        a_subset) noexcept;
 
  virtual void
  clearPointParticles(const Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_particles,
                      const SpeciesSubset                                        a_subset) noexcept;
 
  virtual void
  computeCdrConductivity() noexcept;
 
  virtual void
  computeConductivities(const Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_particles,
                        const bool                                                 a_useStoredCdrConductivity) noexcept;
 
  virtual void
  computeCellConductivity(EBAMRCellData&                                             a_conductivityCell,
                          const Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_particles,
                          const bool a_useStoredCdrConductivity) noexcept;
 
  virtual void
  computeFaceConductivity() noexcept;
 
  virtual void
  computeSemiImplicitRho() noexcept;
 
  virtual void
  setupSemiImplicitPoisson(const Real a_dt) noexcept;
 
  virtual bool
  solvePoisson() noexcept override;
 
  virtual void
  removeCoveredPointParticles(Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_particles,
                              const EBRepresentation                               a_representation,
                              const Real                                           a_tolerance) const noexcept;
 
  virtual void
  copyConductivityParticles(Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_conductivityParticles) noexcept;
 
  virtual void
  advanceEulerMaruyama(const Real a_dt) noexcept;
 
  virtual void
  diffuseParticlesEulerMaruyama(Vector<RefCountedPtr<ParticleContainer<NoPayload>>>& a_rhoDaggerParticles,
                                const Real                                           a_dt) noexcept;
 
  virtual void
  computeDiffusionTermCDR(EBAMRCellData& m_semiImplicitRhoCDR, const Real a_dt) noexcept;
 
  virtual void
  stepEulerMaruyamaParticles(const Real a_dt) noexcept;
 
  virtual void
  stepEulerMaruyamaCDR(const Real a_dt) noexcept;
 
  virtual void
  plotParticles() const noexcept;
};
} // namespace ItoKMC
} // namespace Physics
 
#include <CD_NamespaceFooter.H>
 
#include <CD_ItoKMCGodunovStepperImplem.H>
 
#endif