Preliminary implementation of bte coupling for low-mach

src/M2ulPhyS2Boltzmann.cpp

@@ -36,7 +36,6 @@
 #include "M2ulPhyS.hpp"
 #include "tps2Boltzmann.hpp"
 
-// CPU version (just for starting up)
 void M2ulPhyS::push(TPS::Tps2Boltzmann &interface) {
   assert(interface.IsInitialized());
 

src/reactingFlow.cpp

@@ -41,6 +41,7 @@
 #include "loMach.hpp"
 #include "loMach_options.hpp"
 #include "radiation.hpp"
+#include "tps2Boltzmann.hpp"
 
 using namespace mfem;
 using namespace mfem::common;
@@ -363,6 +364,11 @@ ReactingFlow::ReactingFlow(mfem::ParMesh *pmesh, LoMachOptions *loMach_opts, tem
       tpsP_->getRequiredInput((basepath + "/radius").c_str(), R);
       rxnModelParamsHost.push_back(Vector({R}));
 
+    } else if (model == "bte") {
+      reactionModels[r - 1] = GRIDFUNCTION_RXN;
+      int index;
+      tpsP_->getRequiredInput((basepath + "/bte/index").c_str(), index);
+      chemistryInput_.reactionInputs[r - 1].indexInput = index;
     } else {
       grvy_printf(GRVY_ERROR, "\nUnknown reaction_model -> %s", model.c_str());
       exit(ERROR);
@@ -2835,6 +2841,58 @@ double species_uniform(const Vector &coords, double t) {
   return yn;
 }
 
+void ReactingFlow::push(TPS::Tps2Boltzmann &interface) {
+  assert(interface.IsInitialized());
+
+  const int nscalardofs(vfes_->GetNDofs());
+
+  mfem::ParGridFunction *species =
+      new mfem::ParGridFunction(&interface.NativeFes(TPS::Tps2Boltzmann::Index::SpeciesDensities));
+
+  double *species_data = species->HostWrite();
+
+  const double *dataRho = rn_.HostRead();
+  const double *dataY = Yn_.HostRead();
+
+  double state_local[gpudata::MAXEQUATIONS];
+  double species_local[gpudata::MAXSPECIES];
+
+  for (int i = 0; i < nscalardofs; i++) {
+    for (int asp = 0; asp < nActiveSpecies_; asp++)
+      state_local[asp] = dataRho[i]*dataY[i+asp*nscalardofs];
+
+    mixture_->computeNumberDensities(state_local, species_local);
+
+
+    for (int sp = 0; sp < interface.Nspecies(); sp++)
+      species_data[i + sp * nscalardofs] = AVOGADRONUMBER * species_local[sp];
+  }
+
+  interface.interpolateFromNativeFES(*species, TPS::Tps2Boltzmann::Index::SpeciesDensities);
+  interface.interpolateFromNativeFES(Tn_gf_, TPS::Tps2Boltzmann::Index::HeavyTemperature);
+  interface.interpolateFromNativeFES(Tn_gf_, TPS::Tps2Boltzmann::Index::ElectronTemperature);
+
+  interface.setTimeStep(this->dt_);
+  interface.setCurrentTime(this->time_);
+
+  delete species;
+}
+
+void ReactingFlow::fetch(TPS::Tps2Boltzmann &interface) {
+  mfem::ParFiniteElementSpace *reaction_rates_fes(&(interface.NativeFes(TPS::Tps2Boltzmann::Index::ReactionRates)));
+  externalReactionRates_.reset(new mfem::ParGridFunction(reaction_rates_fes));
+  interface.interpolateToNativeFES(*externalReactionRates_, TPS::Tps2Boltzmann::Index::ReactionRates);
+#if defined(_CUDA_) || defined(_HIP_)
+  const double *data(externalReactionRates_->Read());
+  int size(externalReactionRates_->FESpace()->GetNDofs());
+  assert(externalReactionRates_->FESpace()->GetOrdering() == mfem::Ordering::byNODES);
+  gpu::deviceSetChemistryReactionData<<<1, 1>>>(data, size, chemistry_);
+#else
+  chemistry_->setGridFunctionRates(*externalReactionRates_);
+#endif
+}
+
+
 #if 0
 void ReactingFlow::uniformInlet() {
   int myRank;

src/reactingFlow.hpp

@@ -36,6 +36,7 @@
 // forward-declaration for Tps support class
 namespace TPS {
 class Tps;
+class Tps2Boltzmann;
 }
 
 #include <hdf5.h>
@@ -102,6 +103,8 @@ class ReactingFlow : public ThermoChemModelBase {
   PerfectMixture *mixture_ = NULL;
   ArgonMixtureTransport *transport_ = NULL;
   Chemistry *chemistry_ = NULL;
+  // External reaction rates when chemistry is implemented using the BTE option
+  std::unique_ptr<ParGridFunction> externalReactionRates_;
 
   std::vector<std::string> speciesNames_;
   std::map<std::string, int> atomMap_;
@@ -415,5 +418,8 @@ class ReactingFlow : public ThermoChemModelBase {
 
   void evalSubstepNumber();
   void readTableWrapper(std::string inputPath, TableInput &result);
+
+  void push(TPS::Tps2Boltzmann &interface);
+  void fetch(TPS::Tps2Boltzmann &interface);
 };
 #endif  // REACTINGFLOW_HPP_