Merge branch 'develop' into feature_SST_RoughBCs

Author: pcarruscag

.github/workflows/regression.yml

@@ -127,7 +127,7 @@ jobs:
           - config_set: BaseNoMPI-asan
             flags: '--buildtype=debugoptimized -Denable-openblas=true -Dwith-mpi=disabled -Denable-mlpcpp=true --warnlevel=3 --werror'
           - config_set: ReverseNoMPI-asan
-            flags: '--buildtype=debugoptimized -Denable-autodiff=true -Denable-normal=false -Dwith-mpi=disabled --warnlevel=3 --werror'
+            flags: '--buildtype=debugoptimized --optimization=1 -Denable-autodiff=true -Denable-normal=false -Dwith-mpi=disabled --warnlevel=3 --werror'
     runs-on: ${{ inputs.runner || 'ubuntu-latest' }}
     steps:
       - name: Cache Object Files

.gitmodules

@@ -30,3 +30,6 @@
 [submodule "externals/FADO"]
 	path = externals/FADO
 	url = https://github.com/pcarruscag/FADO.git
+[submodule "externals/eigen"]
+	path = externals/eigen
+	url = https://gitlab.com/libeigen/eigen.git

AUTHORS.md

@@ -71,6 +71,7 @@ Eduardo Molina
 Edwin van der Weide
 Eitan Aberman
 Ethan Alan Hereth
+Ezgi Orbay Akcengiz
 Florian Dittmann
 Filip Hahs
 Francesco Poli

Common/include/CConfig.hpp

@@ -199,6 +199,8 @@ class CConfig {
   nMarker_Inlet,                  /*!< \brief Number of inlet flow markers. */
   nMarker_Inlet_Species,          /*!< \brief Number of inlet species markers. */
   nSpecies_per_Inlet,             /*!< \brief Number of species defined per inlet markers. */
+  nMarker_Wall_Species,           /*!< \brief Number of wall species markers. */
+  nSpecies_per_Wall,              /*!< \brief Number of species defined per wall markers. */
   nMarker_Inlet_Turb,             /*!< \brief Number of inlet turbulent markers. */
   nTurb_Properties,               /*!< \brief Number of turbulent properties per inlet markers. */
   nMarker_Riemann,                /*!< \brief Number of Riemann flow markers. */
@@ -255,6 +257,7 @@ class CConfig {
   *Marker_ActDiskBemOutlet_Axis,  /*!< \brief Actuator disk BEM outlet markers passed to MARKER_ACTDISK_BEM_AXIS. */
   *Marker_Inlet,                  /*!< \brief Inlet flow markers. */
   *Marker_Inlet_Species,          /*!< \brief Inlet species markers. */
+  *Marker_Wall_Species,           /*!< \brief Wall species markers. */
   *Marker_Inlet_Turb,             /*!< \brief Inlet turbulent markers. */
   *Marker_Riemann,                /*!< \brief Riemann markers. */
   *Marker_Giles,                  /*!< \brief Giles markers. */
@@ -294,6 +297,8 @@ class CConfig {
   su2double **Inlet_Velocity;                /*!< \brief Specified flow velocity vectors for supersonic inlet boundaries. */
   su2double **Inlet_SpeciesVal;              /*!< \brief Specified species vector for inlet boundaries. */
   su2double **Inlet_TurbVal;                 /*!< \brief Specified turbulent intensity and viscosity ratio for inlet boundaries. */
+  WALL_SPECIES_TYPE **Kind_Wall_Species;        /*!< \brief Species boundary condition type for wall boundaries (FLUX or VALUE) per species. */
+  su2double **Wall_SpeciesVal;               /*!< \brief Specified species flux or value for wall boundaries per species. */
   su2double *EngineInflow_Target;            /*!< \brief Specified fan face targets for nacelle boundaries. */
   su2double *Inflow_Mach;                    /*!< \brief Specified fan face mach for nacelle boundaries. */
   su2double *Inflow_Pressure;                /*!< \brief Specified fan face pressure for nacelle boundaries. */
@@ -430,7 +435,7 @@ class CConfig {
   unsigned short nQuasiNewtonSamples;  /*!< \brief Number of samples used in quasi-Newton solution methods. */
   bool UseVectorization;       /*!< \brief Whether to use vectorized numerics schemes. */
   bool NewtonKrylov;           /*!< \brief Use a coupled Newton method to solve the flow equations. */
-  array<unsigned short,3> NK_IntParam{{20, 3, 2}}; /*!< \brief Integer parameters for NK method. */
+  array<unsigned short,4> NK_IntParam{{20, 3, 2, 0}}; /*!< \brief Integer parameters for NK method. */
   array<su2double,5> NK_DblParam{{-2.0, 0.1, -3.0, 1e-4, 1.0}}; /*!< \brief Floating-point parameters for NK method. */
   su2double NK_Relaxation = 1.0;
 
@@ -515,6 +520,7 @@ class CConfig {
   Kind_SlopeLimit_AdjFlow,      /*!< \brief Slope limiter for the adjoint equation.*/
   Kind_SlopeLimit_Heat,         /*!< \brief Slope limiter for the adjoint equation.*/
   Kind_SlopeLimit_Species;      /*!< \brief Slope limiter for the species equation.*/
+  LINEAR_SOLVER_INNER Kind_Linear_Solver_Inner; /*!< \brief Inner solver used in nested Krylov schemes. */
   unsigned short Kind_FluidModel,  /*!< \brief Kind of the Fluid Model: Ideal, van der Waals, etc. */
   Kind_InitOption,                 /*!< \brief Kind of Init option to choose if initializing with Reynolds number or with thermodynamic conditions   */
   Kind_GridMovement,               /*!< \brief Kind of the static mesh movement. */
@@ -641,6 +647,7 @@ class CConfig {
   unsigned long Linear_Solver_Iter;              /*!< \brief Max iterations of the linear solver for the implicit formulation. */
   unsigned long Deform_Linear_Solver_Iter;       /*!< \brief Max iterations of the linear solver for the implicit formulation. */
   unsigned long Linear_Solver_Restart_Frequency; /*!< \brief Restart frequency of the linear solver for the implicit formulation. */
+  unsigned long Linear_Solver_Restart_Deflation; /*!< \brief Number of vectors used for deflated restarts. */
   unsigned long Linear_Solver_Prec_Threads;      /*!< \brief Number of threads per rank for ILU and LU_SGS preconditioners. */
   unsigned short Linear_Solver_ILU_n;            /*!< \brief ILU fill=in level. */
   su2double SemiSpan;                   /*!< \brief Wing Semi span. */
@@ -920,6 +927,7 @@ class CConfig {
   Initial_BCThrust,                /*!< \brief Ratio of turbulent to laminar viscosity at the actuator disk. */
   Pressure_FreeStream,             /*!< \brief Total pressure of the fluid. */
   Pressure_Thermodynamic,          /*!< \brief Thermodynamic pressure of the fluid. */
+  Standard_Ref_Temperature,        /*!< \brief Standard reference temperature for multicomponent flows. */
   Temperature_FreeStream,          /*!< \brief Total temperature of the fluid.  */
   Temperature_ve_FreeStream;       /*!< \brief Total vibrational-electronic temperature of the fluid.  */
   unsigned short wallModel_MaxIter; /*!< \brief maximum number of iterations for the Newton method for the wall model */
@@ -1393,6 +1401,11 @@ class CConfig {
   void addGilesOption(const string name, unsigned short & nMarker_Giles, string * & Marker_Giles, unsigned short* & option_field, const map<string, Tenum> & enum_map,
                      su2double* & var1, su2double* & var2, su2double** & FlowDir, su2double* & relaxfactor1, su2double* & relaxfactor2);
 
+  template <class Tenum>
+  void addWallSpeciesOption(const string name, unsigned short & nMarker_Wall_Species, string * & Marker_Wall_Species,
+                            WALL_SPECIES_TYPE** & option_field, const map<string, Tenum> & enum_map,
+                            su2double** & value, unsigned short & nSpecies_per_Wall);
+
   void addExhaustOption(const string& name, unsigned short & nMarker_Exhaust, string * & Marker_Exhaust,
                         su2double* & Ttotal, su2double* & Ptotal);
 
@@ -1960,6 +1973,12 @@ class CConfig {
    */
   su2double GetPressure_Thermodynamic(void) const { return Pressure_Thermodynamic; }
 
+  /*!
+   * \brief Get the value of the standard reference temperature for multicomponent flows.
+   * \return Standard reference temperature, Non-dimensionalized if it is needed for Non-Dimensional problems.
+   */
+  su2double GetStandard_RefTemperatureND(void) const { return Standard_Ref_Temperature / Temperature_Ref; }
+
   /*!
    * \brief Get the value of the non-dimensionalized thermodynamic pressure.
    * \return Non-dimensionalized thermodynamic pressure.
@@ -4283,6 +4302,10 @@ class CConfig {
    */
   unsigned short GetKind_Linear_Solver(void) const { return Kind_Linear_Solver; }
 
+  /*!
+   * \brief Get the inner linear solver used in nested Krylov linear solvers.
+   */
+  LINEAR_SOLVER_INNER GetKind_Linear_Solver_Inner(void) const { return Kind_Linear_Solver_Inner; }
 
   /*!
    * \brief Get the kind of preconditioner for the implicit solver.
@@ -4332,6 +4355,11 @@ class CConfig {
    */
   unsigned long GetLinear_Solver_Restart_Frequency(void) const { return Linear_Solver_Restart_Frequency; }
 
+  /*!
+   * \brief Get the number of vectors used for deflated restarts.
+   */
+  unsigned long GetLinear_Solver_Restart_Deflation(void) const { return Linear_Solver_Restart_Deflation; }
+
   /*!
    * \brief Get the relaxation factor for iterative linear smoothers.
    * \return Relaxation factor.
@@ -4385,7 +4413,7 @@ class CConfig {
   /*!
    * \brief Get Newton-Krylov integer parameters.
    */
-  array<unsigned short,3> GetNewtonKrylovIntParam() const { return NK_IntParam; }
+  array<unsigned short,4> GetNewtonKrylovIntParam() const { return NK_IntParam; }
 
   /*!
    * \brief Get Newton-Krylov floating-point parameters.
@@ -7133,6 +7161,22 @@ class CConfig {
    */
   const su2double* GetInlet_SpeciesVal(const string& val_index) const;
 
+  /*!
+   * \brief Get the species value at a wall boundary for a specific species
+   * \param[in] val_marker - Marker tag corresponding to the wall boundary.
+   * \param[in] iSpecies - Species index.
+   * \return The wall species value (flux or Dirichlet value).
+   */
+  su2double GetWall_SpeciesVal(const string& val_marker, unsigned short iSpecies) const;
+
+  /*!
+   * \brief Get the species boundary condition type at a wall boundary for a specific species
+   * \param[in] val_marker - Marker tag corresponding to the wall boundary.
+   * \param[in] iSpecies - Species index.
+   * \return The wall species type (FLUX or VALUE).
+   */
+  WALL_SPECIES_TYPE GetWall_SpeciesType(const string& val_marker, unsigned short iSpecies) const;
+
   /*!
    * \brief Get the turbulent properties values at an inlet boundary
    * \param[in] val_index - Index corresponding to the inlet boundary.

Common/include/geometry/CGeometry.hpp

@@ -1,4 +1,4 @@
-/*!
+/*!
  * \file CGeometry.hpp
  * \brief Headers of the main subroutines for creating the geometrical structure.
  *        The subroutines and functions are in the <i>CGeometry.cpp</i> file.
@@ -51,6 +51,7 @@ extern "C" {
 #include <climits>
 #include <memory>
 #include <unordered_map>
+#include <cstdint>
 
 #include "primal_grid/CPrimalGrid.hpp"
 #include "dual_grid/CDualGrid.hpp"

Common/include/geometry/primal_grid/CPrimalGrid.hpp

@@ -28,11 +28,11 @@
 
 #pragma once
 
+#include <cstdint>
 #include <iostream>
 #include <vector>
 #include <limits>
 #include <cstdlib>
-#include <limits>
 #include <memory>
 
 #include "../../option_structure.hpp"

Common/include/linear_algebra/CPreconditioner.hpp

@@ -28,6 +28,7 @@
 
 #pragma once
 
+#include <functional>
 #include "../CConfig.hpp"
 #include "../geometry/CGeometry.hpp"
 #include "CSysVector.hpp"
@@ -305,6 +306,25 @@ class CPastixPreconditioner final : public CPreconditioner<ScalarType> {
   inline void Build() override { sparse_matrix.BuildPastixPreconditioner(geometry, config, kind_fact); }
 };
 
+/*!
+ * \class CAbstractPreconditioner
+ * \brief Applies a std::function as the preconditioning operation.
+ * \note This can be used to treat almost anything as a preconditioner.
+ */
+template <class ScalarType>
+class CAbstractPreconditioner final : public CPreconditioner<ScalarType> {
+ private:
+  std::function<void(const CSysVector<ScalarType>&, CSysVector<ScalarType>&)> impl;
+
+ public:
+  CAbstractPreconditioner() = delete;
+
+  template <class F>
+  explicit CAbstractPreconditioner(const F& function) : impl(function) {}
+
+  inline void operator()(const CSysVector<ScalarType>& u, CSysVector<ScalarType>& v) const override { impl(u, v); }
+};
+
 template <class ScalarType>
 CPreconditioner<ScalarType>* CPreconditioner<ScalarType>::Create(ENUM_LINEAR_SOLVER_PREC kind,
                                                                  CSysMatrix<ScalarType>& jacobian, CGeometry* geometry,