Merge pull request #1389 from su2code/feature_cleanup

Cleanup in NEMO

Author: jtneedels

SU2_CFD/src/fluid/CSU2TCLib.cpp

@@ -751,6 +751,7 @@ vector<su2double>& CSU2TCLib::ComputeSpeciesEve(su2double val_T, bool vibe_only)
 
     /*--- Electron species energy ---*/
     if ( ionization && (iSpecies == iElectron)) {
+
       /*--- Calculate formation energy ---*/
       Ef = Enthalpy_Formation[iSpecies] - Ru/MolarMass[iSpecies] * Ref_Temperature[iSpecies];
 
@@ -760,11 +761,13 @@ vector<su2double>& CSU2TCLib::ComputeSpeciesEve(su2double val_T, bool vibe_only)
     }
     /*--- Heavy particle energy ---*/
     else {
+
       /*--- Calculate vibrational energy (harmonic-oscillator model) ---*/
       if (CharVibTemp[iSpecies] != 0.0)
         Ev = Ru/MolarMass[iSpecies] * CharVibTemp[iSpecies] / (exp(CharVibTemp[iSpecies]/val_T)-1.0);
       else
         Ev = 0.0;
+
       /*--- Calculate electronic energy ---*/
       num = 0.0;
       denom = ElDegeneracy[iSpecies][0] * exp(-CharElTemp[iSpecies][0]/val_T);
@@ -793,6 +796,7 @@ vector<su2double>& CSU2TCLib::ComputeNetProductionRates(){
   //       source term.
   su2double T_min   = 800.0;
   su2double epsilon = 80;
+
   /*--- Define preferential dissociation coefficient ---*/
   //alpha = 0.3;
 
@@ -929,7 +933,6 @@ su2double CSU2TCLib::ComputeEveSourceTerm(){
   su2double omegaVT = 0.0;
   su2double omegaCV = 0.0;
 
-
   /*--- Calculate mole fractions ---*/
   su2double N    = 0.0;
   su2double conc = 0.0;
@@ -1050,12 +1053,14 @@ void CSU2TCLib::DiffusionCoeffWBE(){
   }
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++)
     MolarFracWBE[iSpecies] = MolarFracWBE[iSpecies]/conc;
+
   /*--- Calculate mixture molar mass (kg/mol) ---*/
   // Note: Species molar masses stored as kg/kmol, need 1E-3 conversion
   su2double M = 0.0;
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++)
     M += MolarMass[iSpecies]*MolarFracWBE[iSpecies];
   M = M*1E-3;
+
   /*---+++                  +++---*/
   /*--- Diffusion coefficients ---*/
   /*---+++                  +++---*/
@@ -1066,6 +1071,7 @@ void CSU2TCLib::DiffusionCoeffWBE(){
     Mi = MolarMass[iSpecies]*1E-3;
     for (jSpecies = iSpecies; jSpecies < nSpecies; jSpecies++) {
       Mj = MolarMass[jSpecies]*1E-3;
+
       /*--- Calculate the Omega^(0,0)_ij collision cross section ---*/
       Omega_ij = 1E-20/PI_NUMBER * Omega00(iSpecies,jSpecies,3)
           * pow(T, Omega00(iSpecies,jSpecies,0)*log(T)*log(T)
@@ -1075,6 +1081,7 @@ void CSU2TCLib::DiffusionCoeffWBE(){
       Dij(jSpecies,iSpecies) = 7.1613E-25*M*sqrt(T*(1/Mi+1/Mj))/(Density*Omega_ij);
     }
   }
+
   /*--- Calculate species-mixture diffusion coefficient --*/
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
     DiffusionCoeff[iSpecies] = 0.0;
@@ -1139,6 +1146,7 @@ void CSU2TCLib::ThermalConductivitiesWBE(){
     ks[iSpecies] = mus[iSpecies]*(15.0/4.0 + RotationModes[iSpecies]/2.0)*Ru/MolarMass[iSpecies];
     kves[iSpecies] = mus[iSpecies]*Cvves[iSpecies];
   }
+
   /*--- Calculate mixture tr & ve conductivities ---*/
   ThermalCond_tr = 0.0;
   ThermalCond_ve = 0.0;
@@ -1163,10 +1171,13 @@ void CSU2TCLib::DiffusionCoeffGY(){
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
     gam_t += rhos[iSpecies] / (Density*MolarMass[iSpecies]);
   }
+
   /*--- Mixture thermal conductivity via Gupta-Yos approximation ---*/
   for (iSpecies = 0; iSpecies < nHeavy; iSpecies++) {
+
     /*--- Initialize the species diffusion coefficient ---*/
     DiffusionCoeff[iSpecies] = 0.0;
+
     /*--- Calculate molar concentration ---*/
     Mi      = MolarMass[iSpecies];
     gam_i   = rhos[iSpecies] / (Density*Mi);
@@ -1175,6 +1186,7 @@ void CSU2TCLib::DiffusionCoeffGY(){
       if (jSpecies != iSpecies) {
         Mj    = MolarMass[jSpecies];
         gam_j = rhos[iSpecies] / (Density*Mj);
+
         /*--- Calculate the Omega^(0,0)_ij collision cross section ---*/
         Omega_ij = 1E-20 * Omega00(iSpecies,jSpecies,3)
             * pow(T, Omega00(iSpecies,jSpecies,0)*log(T)*log(T)
@@ -1245,21 +1257,25 @@ void CSU2TCLib::ViscosityGY(){
   su2double pi = PI_NUMBER;
   su2double Na = AVOGAD_CONSTANT;
   Mu = 0.0;
+
   /*--- Mixture viscosity via Gupta-Yos approximation ---*/
   for (iSpecies = 0; iSpecies < nHeavy; iSpecies++) {
     denom = 0.0;
+
     /*--- Calculate molar concentration ---*/
     Mi    = MolarMass[iSpecies];
     gam_i = rhos[iSpecies] / (Density*Mi);
     for (jSpecies = 0; jSpecies < nHeavy; jSpecies++) {
       Mj    = MolarMass[jSpecies];
       gam_j = rhos[jSpecies] / (Density*Mj);
+
       /*--- Calculate "delta" quantities ---*/
       Omega_ij = 1E-20 * Omega11(iSpecies,jSpecies,3)
           * pow(T, Omega11(iSpecies,jSpecies,0)*log(T)*log(T)
           + Omega11(iSpecies,jSpecies,1)*log(T)
           + Omega11(iSpecies,jSpecies,2));
       d2_ij = 16.0/5.0 * sqrt((2.0*Mi*Mj) / (pi*Ru*T*(Mi+Mj))) * Omega_ij;
+
       /*--- Add to denominator of viscosity ---*/
       denom += gam_j*d2_ij;
     }
@@ -1275,24 +1291,28 @@ void CSU2TCLib::ViscosityGY(){
       d2_ij = 16.0/5.0 * sqrt((2.0*Mi*Mj) / (pi*Ru*Tve*(Mi+Mj))) * Omega_ij;
       denom += gam_j*d2_ij;
     }
+
     /*--- Calculate species laminar viscosity ---*/
     Mu += (Mi/Na * gam_i) / denom;
   }
   if (ionization) {
     iSpecies = nSpecies-1;
     denom = 0.0;
+
     /*--- Calculate molar concentration ---*/
     Mi    = MolarMass[iSpecies];
     gam_i = rhos[iSpecies] / (Density*Mi);
     for (jSpecies = 0; jSpecies < nSpecies; jSpecies++) {
       Mj    = MolarMass[jSpecies];
       gam_j = rhos[jSpecies] / (Density*Mj);
+
       /*--- Calculate "delta" quantities ---*/
       Omega_ij = 1E-20 * Omega11(iSpecies,jSpecies,3)
           * pow(Tve, Omega11(iSpecies,jSpecies,0)*log(Tve)*log(Tve)
           + Omega11(iSpecies,jSpecies,1)*log(Tve)
           + Omega11(iSpecies,jSpecies,2));
       d2_ij = 16.0/5.0 * sqrt((2.0*Mi*Mj) / (pi*Ru*Tve*(Mi+Mj))) * Omega_ij;
+
       /*--- Add to denominator of viscosity ---*/
       denom += gam_j*d2_ij;
     }
@@ -1324,10 +1344,12 @@ void CSU2TCLib::ThermalConductivitiesGY(){
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
     R += Ru * rhos[iSpecies]/Density;
   }
+
   /*--- Mixture thermal conductivity via Gupta-Yos approximation ---*/
   ThermalCond_tr = 0.0;
   ThermalCond_ve = 0.0;
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
+
     /*--- Calculate molar concentration ---*/
     Mi      = MolarMass[iSpecies];
     mi      = Mi/Na;
@@ -1339,28 +1361,35 @@ void CSU2TCLib::ThermalConductivitiesGY(){
       mj    = Mj/Na;
       gam_j = rhos[iSpecies] / (Density*Mj);
       a_ij = 1.0 + (1.0 - mi/mj)*(0.45 - 2.54*mi/mj) / ((1.0 + mi/mj)*(1.0 + mi/mj));
+
       /*--- Calculate the Omega^(0,0)_ij collision cross section ---*/
       Omega_ij = 1E-20 * Omega00(iSpecies,jSpecies,3)
           * pow(T, Omega00(iSpecies,jSpecies,0)*log(T)*log(T)
           + Omega00(iSpecies,jSpecies,1)*log(T)
           + Omega00(iSpecies,jSpecies,2));
+
       /*--- Calculate "delta1_ij" ---*/
       d1_ij = 8.0/3.0 * sqrt((2.0*Mi*Mj) / (pi*Ru*T*(Mi+Mj))) * Omega_ij;
+
       /*--- Calculate the Omega^(1,1)_ij collision cross section ---*/
       Omega_ij = 1E-20 * Omega11(iSpecies,jSpecies,3)
           * pow(T, Omega11(iSpecies,jSpecies,0)*log(T)*log(T)
           + Omega11(iSpecies,jSpecies,1)*log(T)
           + Omega11(iSpecies,jSpecies,2));
+
       /*--- Calculate "delta2_ij" ---*/
       d2_ij = 16.0/5.0 * sqrt((2.0*Mi*Mj) / (pi*Ru*T*(Mi+Mj))) * Omega_ij;
       denom_t += a_ij*gam_j*d2_ij;
       denom_r += gam_j*d1_ij;
     }
+
     /*--- Translational contribution to thermal conductivity ---*/
     ThermalCond_tr    += (15.0/4.0)*kb*gam_i/denom_t;
+
     /*--- Translational contribution to thermal conductivity ---*/
     if (RotationModes[iSpecies] != 0.0)
       ThermalCond_tr  += kb*gam_i/denom_r;
+
     /*--- Vibrational-electronic contribution to thermal conductivity ---*/
     ThermalCond_ve += kb*Cvve/R*gam_i / denom_r;
   }

SU2_CFD/src/numerics/NEMO/NEMO_diffusion.cpp

@@ -233,7 +233,6 @@ CAvgGradCorrected_NEMO::~CAvgGradCorrected_NEMO(void) {
 CNumerics::ResidualType<> CAvgGradCorrected_NEMO::ComputeResidual(const CConfig *config) {
 
   unsigned short iSpecies;
-  su2double dist_ij_2;
 
   /*--- Normalized normal vector ---*/
   Area = GeometryToolbox::Norm(nDim, Normal);
@@ -242,11 +241,10 @@ CNumerics::ResidualType<> CAvgGradCorrected_NEMO::ComputeResidual(const CConfig
     UnitNormal[iDim] = Normal[iDim]/Area;
 
   /*--- Compute vector going from iPoint to jPoint ---*/
-  dist_ij_2 = 0.0;
   for (iDim = 0; iDim < nDim; iDim++) {
     Edge_Vector[iDim] = Coord_j[iDim]-Coord_i[iDim];
-    dist_ij_2 += Edge_Vector[iDim]*Edge_Vector[iDim];
   }
+  su2double dist_ij_2 = GeometryToolbox::SquaredNorm(nDim, Edge_Vector);
 
   /*--- Make a local copy of the primitive variables ---*/
   // NOTE: We are transforming the species density terms to species mass fractions
@@ -277,7 +275,6 @@ CNumerics::ResidualType<> CAvgGradCorrected_NEMO::ComputeResidual(const CConfig
                                           PrimVar_Grad_j[iVar][iDim]);
     }
   }
-
   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) {
     Mean_Eve[iSpecies]  = 0.5*(eve_i[iSpecies]  + eve_j[iSpecies]);
     Mean_Cvve[iSpecies] = 0.5*(Cvve_i[iSpecies] + Cvve_j[iSpecies]);
@@ -298,9 +295,7 @@ CNumerics::ResidualType<> CAvgGradCorrected_NEMO::ComputeResidual(const CConfig
 
   /*--- Projection of the mean gradient in the direction of the edge ---*/
   for (iVar = 0; iVar < nPrimVarGrad; iVar++) {
-    Proj_Mean_GradPrimVar_Edge[iVar] = 0.0;
-    for (iDim = 0; iDim < nDim; iDim++)
-      Proj_Mean_GradPrimVar_Edge[iVar] += Mean_GradPrimVar[iVar][iDim]*Edge_Vector[iDim];
+    Proj_Mean_GradPrimVar_Edge[iVar] = GeometryToolbox::DotProduct(nDim, Mean_GradPrimVar[iVar], Edge_Vector);
     for (iDim = 0; iDim < nDim; iDim++) {
       Mean_GradPrimVar[iVar][iDim] -= (Proj_Mean_GradPrimVar_Edge[iVar] -
                                        (PrimVar_j[iVar]-PrimVar_i[iVar]))*Edge_Vector[iDim] / dist_ij_2;
@@ -322,10 +317,7 @@ CNumerics::ResidualType<> CAvgGradCorrected_NEMO::ComputeResidual(const CConfig
 
   /*--- Compute the implicit part ---*/
   if (implicit) {
-    dist_ij = 0.0;
-    for (iDim = 0; iDim < nDim; iDim++)
-      dist_ij += (Coord_j[iDim]-Coord_i[iDim])*(Coord_j[iDim]-Coord_i[iDim]);
-    dist_ij = sqrt(dist_ij);
+    dist_ij = sqrt(dist_ij_2);
 
     //GetViscousProjJacs(Mean_PrimVar, Mean_GradPrimVar, Mean_Eve, Mean_Cvve,
     //                   Mean_Diffusion_Coeff, Mean_Laminar_Viscosity,
@@ -336,5 +328,4 @@ CNumerics::ResidualType<> CAvgGradCorrected_NEMO::ComputeResidual(const CConfig
   }
 
   return ResidualType<>(Flux, nullptr, nullptr);
-}
-
+}

SU2_CFD/src/solvers/CNEMOEulerSolver.cpp

@@ -1714,11 +1714,10 @@ void CNEMOEulerSolver::BC_Inlet(CGeometry *geometry, CSolver **solver_container,
 
         /*--- Store primitives and set some variables for clarity. ---*/
         Density = V_domain[RHO_INDEX];
-        Velocity2 = 0.0;
-        for (iDim = 0; iDim < nDim; iDim++) {
+        for (iDim = 0; iDim < nDim; iDim++) 
           Velocity[iDim] = U_domain[nSpecies+iDim]/Density;
-          Velocity2 += Velocity[iDim]*Velocity[iDim];
-        }
+
+        Velocity2   = GeometryToolbox::SquaredNorm(nDim, Velocity);
         Energy      = U_domain[nVar-2]/Density;
         Pressure    = Gamma_Minus_One*Density*(Energy-0.5*Velocity2);
         H_Total     = (Gamma*Gas_Constant/Gamma_Minus_One)*T_Total;
@@ -1735,9 +1734,7 @@ void CNEMOEulerSolver::BC_Inlet(CGeometry *geometry, CSolver **solver_container,
 
         /*--- Dot product of normal and flow direction. This should
            be negative due to outward facing boundary normal convention. ---*/
-        alpha = 0.0;
-        for (iDim = 0; iDim < nDim; iDim++)
-          alpha += UnitNormal[iDim]*Flow_Dir[iDim];
+        alpha = GeometryToolbox::DotProduct(nDim, UnitNormal, Flow_Dir);
 
         /*--- Coefficients in the quadratic equation for the velocity ---*/
         aa =  1.0 + 0.5*Gamma_Minus_One*alpha*alpha;
@@ -2439,12 +2436,4 @@ void CNEMOEulerSolver::BC_Supersonic_Outlet(CGeometry *geometry, CSolver **solve
   /*--- Free locally allocated memory ---*/
   delete [] Normal;
 
-}
-
-//void CNEMOEulerSolver::BC_Sym_Plane(CGeometry *geometry, CSolver **solver_container,
-//                                    CNumerics *conv_numerics, CNumerics *visc_numerics, CConfig *config, unsigned short val_marker) {
-//
-//  /*--- Call the Euler wall routine ---*/
-//  BC_Euler_Wall(geometry, solver_container, conv_numerics, visc_numerics, config, val_marker);
-//
-//}
+}