Feature jacobians

.gitmodules

@@ -14,7 +14,7 @@
 	url = https://github.com/mesonbuild/meson
 [submodule "subprojects/Mutationpp"]
         path = subprojects/Mutationpp
-        url = https://github.com/mutationpp/Mutationpp.git
+        url = https://github.com/hypersonic-lab/Mutationpp.git
 [submodule "subprojects/CoolProp"]
         path = subprojects/CoolProp
         url = https://github.com/CoolProp/CoolProp.git
@@ -27,3 +27,6 @@
 [submodule "subprojects/MLPCpp"]
 	path = subprojects/MLPCpp
 	url = https://github.com/EvertBunschoten/MLPCpp.git
+[submodule "externals/FADO"]
+	path = externals/FADO
+	url = https://github.com/pcarruscag/FADO.git

Common/src/CConfig.cpp

@@ -4024,7 +4024,7 @@ void CConfig::SetPostprocessing(SU2_COMPONENT val_software, unsigned short val_i
     if (Kind_FluidModel == MUTATIONPP && (Kind_TransCoeffModel == TRANSCOEFFMODEL::GUPTAYOS)) {
       cout << "Gupta-Yos viscosity model chosen for M++, which is not a thermal conductivity model. Chapman-Enskog default model will be used for Thermal Conductivity." << endl;
     }
-  
+
     if (Kind_Species_Model == SPECIES_MODEL::FLAMELET) {
 
       if (Kind_FluidModel != FLUID_FLAMELET) {
@@ -5474,7 +5474,7 @@ void CConfig::SetPostprocessing(SU2_COMPONENT val_software, unsigned short val_i
   /*--- Specifying a deforming surface requires a mesh deformation solver. ---*/
   if (GetSurface_Movement(DEFORMING)) Deform_Mesh = true;
 
-  monoatomic = GetGasModel() == "ARGON";
+  monoatomic = StringToUpperCase(GetGasModel()) == "ARGON";
 
   /*--- Set number of Turbulence Variables. ---*/
   switch (TurbModelFamily(Kind_Turb_Model)) {
@@ -7097,8 +7097,6 @@ void CConfig::SetOutput(SU2_COMPONENT val_software, unsigned short val_izone) {
           break;
         case EULER_IMPLICIT:
           cout << "Euler implicit method for the flow equations." << endl;
-          if (Kind_FluidModel == MUTATIONPP)
-            SU2_MPI::Error("Implicit time scheme is not yet implemented with Mutation++. Use EULER_EXPLICIT.", CURRENT_FUNCTION);
           switch (Kind_Linear_Solver) {
             case BCGSTAB:
             case FGMRES:

SU2_CFD/include/fluid/CMutationTCLib.hpp

@@ -49,7 +49,12 @@ class CMutationTCLib : public CNEMOGas {
 
   vector<su2double> Cv_ks,                /*!< \brief Species specific heats at constant volume. */
   es,                                     /*!< \brief Species energies. */
-  omega_vec;                              /*!< \brief Dummy vector for vibrational energy source term. */
+  omega_vec,                              /*!< \brief Dummy vector for vibrational energy source term. */
+  JacRho,                                 /*!< \brief Dummy vector for partial density dependent chemistry jacobians. */
+  JacT,                                   /*!< \brief Dummy vector for translational temperature dependent chemistry jacobians. */
+  JacTv,                                  /*!< \brief Dummy vector for vibrational temperature dependent chemistry jacobians. */
+  omegaJRho,                              /*!< \brief Dummy vector for partial density dependent vibrational source term jacobians. */
+  omegaJTTv;                              /*!< \brief Dummy vector for temperature (both tr and ve) dependent vibrational source term jacobians. */
 
   su2double Tref;                         /*!< \brief Reference temperature. */
 
@@ -100,11 +105,23 @@ class CMutationTCLib : public CNEMOGas {
                                                const su2double* cvve, const su2double* dTdU, const su2double* dTvedU,
                                                su2double **val_jacobian) final;
 
+  /*!
+   * \brief Compute chemical source term jacobian elements.
+   */
+  void ChemistryJacobian(unsigned short iReaction, const su2double *V, const su2double* eve, const su2double* cvve, 
+                         const su2double* dTdU, const su2double* dTvedU, su2double **val_jacobian) final;
+
   /*!
    * \brief Compute vibrational energy source term.
    */
   su2double ComputeEveSourceTerm() final;
 
+  /*!
+   * \brief Compute vibrational energy source term jacobian elements.
+   */
+  void GetEveSourceTermJacobian(const su2double *V, const su2double *eve, const su2double *cvve,
+                                const su2double *dTdU, const su2double* dTvedU, su2double **val_jacobian) final; 
+
   /*!
    * \brief Compute species enthalpies.
    */

SU2_CFD/src/fluid/CMutationTCLib.cpp

@@ -40,7 +40,11 @@ CMutationTCLib::CMutationTCLib(const CConfig* config, unsigned short val_nDim):
   es.resize(nEnergyEq*nSpecies,0.0);
   omega_vec.resize(1,0.0);
   CatRecombTable.resize(nSpecies,2) = 0;
-
+  JacRho.resize(nSpecies*nSpecies,0.0);
+  JacT.resize(nSpecies,0.0);
+  JacTv.resize(nSpecies,0.0);
+  omegaJRho.resize(nSpecies,0.0);
+  omegaJTTv.resize(nEnergyEq,0.0);
 
   /*--- Set up inputs to define type of mixture in the Mutation++ library ---*/
 
@@ -157,7 +161,7 @@ vector<su2double>& CMutationTCLib::GetSpeciesCvTraRot(){
    mix->getCvsMass(Cv_ks.data());
 
    for(iSpecies = 0; iSpecies < nSpecies; iSpecies++) Cvtrs[iSpecies] = Cv_ks[iSpecies];
-
+   
    return Cvtrs;
 }
 
@@ -197,9 +201,35 @@ vector<su2double>& CMutationTCLib::ComputeNetProductionRates(bool implicit, cons
 
   mix->netProductionRates(ws.data());
 
+  if(implicit) ChemistryJacobian(0, V, eve, cvve, dTdU, dTvedU, val_jacobian);
+
   return ws;
 }
 
+void CMutationTCLib::ChemistryJacobian(unsigned short iReaction, const su2double *V, const su2double* eve, const su2double *cvve,
+                                  const su2double* dTdU, const su2double* dTvedU, su2double **val_jacobian){
+
+  unsigned short iVar, jVar, iSpecies;
+  unsigned short nEve = nSpecies+nDim+1;
+  unsigned short nVar = nSpecies+nDim+2;
+
+  mix->jacobianRho(JacRho.data());
+  mix->jacobianT(JacT.data());
+  mix->jacobianTv(JacTv.data());
+
+  for(iSpecies = 0; iSpecies < nSpecies; iSpecies++)
+      for(jSpecies = 0; jSpecies < nSpecies; jSpecies++) 
+          val_jacobian[iSpecies][jSpecies] = JacRho[iSpecies*nSpecies+jSpecies];
+
+  for(iSpecies = 0; iSpecies < nSpecies; iSpecies++){
+      for(iVar = 0; iVar < nVar; iVar++){
+          val_jacobian[iSpecies][iVar] += JacT[iSpecies]*dTdU[iVar];
+          val_jacobian[iSpecies][iVar] += JacTv[iSpecies]*dTvedU[iVar];
+      }
+  }  
+
+}
+
 su2double CMutationTCLib::ComputeEveSourceTerm(){
 
   mix->energyTransferSource(omega_vec.data());
@@ -209,6 +239,26 @@ su2double CMutationTCLib::ComputeEveSourceTerm(){
   return omega;
 }
 
+void CMutationTCLib::GetEveSourceTermJacobian(const su2double *V, const su2double *eve, const su2double *cvve, const su2double *dTdU, 
+                                  const su2double* dTvedU, su2double **val_jacobian){
+
+   unsigned short iVar, jVar, iSpecies;
+   unsigned short nEve = nSpecies+nDim+1;
+   unsigned short nVar = nSpecies+nDim+2;
+
+   mix->energyTransferJacobiansRho(omegaJRho.data());
+   mix->energyTransferJacobiansTTv(omegaJTTv.data());
+
+   for(iSpecies = 0; iSpecies < nSpecies; iSpecies++)
+      val_jacobian[nEve][iSpecies] = omegaJRho[iSpecies];
+
+   for(iVar = 0; iVar < nVar; iVar++){
+      val_jacobian[nEve][iVar] += omegaJTTv[0]*dTdU[iVar];
+      val_jacobian[nEve][iVar] += omegaJTTv[1]*dTvedU[iVar];
+   }
+
+}
+
 vector<su2double>& CMutationTCLib::ComputeSpeciesEnthalpy(su2double val_T, su2double val_Tve, su2double *val_eves){
 
   mix->getEnthalpiesMass(hs.data());
@@ -221,6 +271,7 @@ vector<su2double>& CMutationTCLib::GetDiffusionCoeff(){
   mix->averageDiffusionCoeffs(DiffusionCoeff.data());
 
   return DiffusionCoeff;
+
 }
 
 su2double CMutationTCLib::GetViscosity(){

SU2_CFD/src/numerics/NEMO/CNEMONumerics.cpp

@@ -351,6 +351,9 @@ void CNEMONumerics::GetViscousProjJacs(const su2double *val_Mean_PrimVar,
     case 12:
       return COMPUTE_VISCOUS_JACS(12, 7);
 
+    case 15:
+      return COMPUTE_VISCOUS_JACS(15,11);
+
     default:
       return COMPUTE_VISCOUS_JACS(DynamicSize,DynamicSize);
 

meson_scripts/init.py

@@ -65,8 +65,8 @@ def init_submodules(
     github_repo_meson = "https://github.com/mesonbuild/meson"
     sha_version_ninja = "52649de2c56b63f42bc59513d51286531c595b44"
     github_repo_ninja = "https://github.com/ninja-build/ninja"
-    sha_version_mpp = "5ff579f43781cae07411e5ab46291c9971536be6"
-    github_repo_mpp = "https://github.com/mutationpp/Mutationpp"
+    sha_version_mpp = "c3c0c51cab2fc42f6c24e7d2d37135a131fd5a16"
+    github_repo_mpp = "https://github.com/hypersonic-lab/Mutationpp"
     sha_version_coolprop = "bafdea1f39ee873a6bb9833e3a21fe41f90b85e8"
     github_repo_coolprop = "https://github.com/CoolProp/CoolProp"
     sha_version_mel = "46205ab019e5224559091375a6d71aabae6bc5b9"