Merge branch 'develop' into coupled_thermoelasticity

Author: pcarruscag

.github/workflows/regression.yml

@@ -30,7 +30,7 @@ jobs:
           - config_set: ReverseMPI
             flags: '-Denable-autodiff=true -Denable-normal=false -Denable-pywrapper=true -Denable-tests=true --warnlevel=3 --werror'
           - config_set: ForwardMPI
-            flags: '-Denable-directdiff=true -Denable-normal=false -Denable-tests=true --warnlevel=3 --werror'
+            flags: '-Denable-directdiff=true -Denable-normal=false -Denable-tests=true -Denable-mlpcpp=true --warnlevel=3 --werror'
           - config_set: BaseNoMPI
             flags: '-Denable-pywrapper=true -Denable-openblas=true -Dwith-mpi=disabled -Denable-mlpcpp=true -Denable-tests=true --warnlevel=3 --werror'
           - config_set: ReverseNoMPI

Common/include/CConfig.hpp

@@ -535,9 +535,8 @@ class CConfig {
   Kind_TimeIntScheme_Heat,      /*!< \brief Time integration for the wave equations. */
   Kind_TimeStep_Heat,           /*!< \brief Time stepping method for the (fvm) heat equation. */
   n_Datadriven_files;
-  ENUM_DATADRIVEN_METHOD Kind_DataDriven_Method;       /*!< \brief Method used for datset regression in data-driven fluid models. */
 
-  su2double DataDriven_Relaxation_Factor; /*!< \brief Relaxation factor for Newton solvers in data-driven fluid models. */
+  DataDrivenFluid_ParsedOptions datadriven_ParsedOptions; /*!< \brief Options for data-driven fluid analysis. */
 
   STRUCT_TIME_INT Kind_TimeIntScheme_FEA;    /*!< \brief Time integration for the FEA equations. */
   STRUCT_SPACE_ITE Kind_SpaceIteScheme_FEA;  /*!< \brief Iterative scheme for nonlinear structural analysis. */
@@ -821,8 +820,7 @@ class CConfig {
   SurfAdjCoeff_FileName,         /*!< \brief Output file with the adjoint variables on the surface. */
   SurfSens_FileName,             /*!< \brief Output file for the sensitivity on the surface (discrete adjoint). */
   VolSens_FileName,              /*!< \brief Output file for the sensitivity in the volume (discrete adjoint). */
-  ObjFunc_Hess_FileName,         /*!< \brief Hessian approximation obtained by the Sobolev smoothing solver. */
-  *DataDriven_Method_FileNames;    /*!< \brief Dataset information for data-driven fluid models. */
+  ObjFunc_Hess_FileName;         /*!< \brief Hessian approximation obtained by the Sobolev smoothing solver. */
 
   bool
   Wrt_Performance,           /*!< \brief Write the performance summary at the end of a calculation.  */
@@ -1239,28 +1237,7 @@ class CConfig {
   unsigned short nSpecies_Init;    /*!< \brief Number of entries of SPECIES_INIT */
 
   /*--- Additional flamelet solver options ---*/
-  ///TODO: Add python wrapper initialization option
-  FLAMELET_INIT_TYPE flame_init_type = FLAMELET_INIT_TYPE::NONE; /*!< \brief Method for solution ignition for flamelet problems. */
-  std::array<su2double,8> flame_init;       /*!< \brief Flame front initialization parameters. */
-  std::array<su2double,6> spark_init;       /*!< \brief Spark ignition initialization parameters. */
-  su2double* spark_reaction_rates; /*!< \brief Source terms for flamelet spark ignition option. */
-  unsigned short nspark;           /*!< \brief Number of source terms for spark initialization. */
-  bool preferential_diffusion = false;  /*!< \brief Preferential diffusion physics for flamelet solver.*/
-
-  /*--- lookup table ---*/
-  unsigned short n_scalars = 0;       /*!< \brief Number of transported scalars for flamelet LUT approach. */
-  unsigned short n_lookups = 0;       /*!< \brief Number of lookup variables, for visualization only. */
-  unsigned short n_table_sources = 0; /*!< \brief Number of transported scalar source terms for LUT. */
-  unsigned short n_user_scalars = 0;  /*!< \brief Number of user defined (auxiliary) scalar transport equations. */
-  unsigned short n_user_sources = 0;  /*!< \brief Number of source terms for user defined (auxiliary) scalar transport equations. */
-  unsigned short n_control_vars = 0;  /*!< \brief Number of controlling variables (independent variables) for the LUT. */
-
-  string* controlling_variable_names;
-  string* cv_source_names;
-  vector<string> table_scalar_names;  /*!< \brief Names of transported scalar variables. */
-  string* lookup_names;         /*!< \brief Names of passive look-up variables. */
-  string* user_scalar_names;          /*!< \brief Names of the user defined (auxiliary) transported scalars .*/
-  string* user_source_names;          /*!< \brief Names of the source terms for the user defined transported scalars. */
+  FluidFlamelet_ParsedOptions flamelet_ParsedOptions; /*!< \brief Additional flamelet solver options */
 
   /*!
    * \brief Set the default values of config options not set in the config file using another config object.
@@ -2169,106 +2146,6 @@ class CConfig {
    */
   bool GetSpecies_StrongBC() const { return Species_StrongBC; }
 
-  /*!
-   * \brief Get the flame initialization.
-   *        (x1,x2,x3) = flame offset/spark center location.
-   *        (x4,x5,x6) = flame normal, separating unburnt from burnt or
-   *                     spark radius, spark start iteration, spark duration.
-   *        (x7) = flame thickness, the length from unburnt to burnt conditions.
-   *        (x8) = flame burnt thickness, the length to stay at burnt conditions.
-   * \return Ignition initialization parameters for the flamelet model.
-   */
-  const su2double* GetFlameInit() const {
-    switch (flame_init_type)
-    {
-    case FLAMELET_INIT_TYPE::FLAME_FRONT:
-      return flame_init.data();
-      break;
-    case FLAMELET_INIT_TYPE::SPARK:
-      return spark_init.data();
-      break;
-    default:
-      return nullptr;
-      break;
-    }
-  }
-
-  /*!
-   * \brief Get species net reaction rates applied during spark ignition.
-   */
-  const su2double* GetSpark() const {
-    return spark_reaction_rates;
-  }
-
-  /*!
-   * \brief Preferential diffusion combustion problem.
-   */
-  bool GetPreferentialDiffusion() const { return preferential_diffusion; }
-
-  /*!
-   * \brief Define preferential diffusion combustion problem.
-   */
-  inline void SetPreferentialDiffusion(bool input) { preferential_diffusion = input; }
-
-  /*!
-   * \brief Get the number of control variables for flamelet model.
-   */
-  unsigned short GetNControlVars() const { return n_control_vars; }
-
-  /*!
-   * \brief Get the number of total transported scalars for flamelet model.
-   */
-  unsigned short GetNScalars() const { return n_scalars; }
-
-  /*!
-   * \brief Get the number of user scalars for flamelet model.
-   */
-  unsigned short GetNUserScalars() const { return n_user_scalars; }
-
-  /*!
-   * \brief Get the name of a specific controlling variable.
-   */
-  const string& GetControllingVariableName(unsigned short i_cv) const {
-    return controlling_variable_names[i_cv];
-  }
-
-  /*!
-   * \brief Get the name of the source term variable for a specific controlling variable.
-   */
-  const string& GetControllingVariableSourceName(unsigned short i_cv) const {
-    return cv_source_names[i_cv];
-  }
-  /*!
-   * \brief Get the name of the user scalar.
-   */
-  const string& GetUserScalarName(unsigned short i_user_scalar) const {
-    static const std::string none = "NONE";
-    if (n_user_scalars > 0) return user_scalar_names[i_user_scalar]; else return none;
-  }
-
-  /*!
-   * \brief Get the name of the user scalar source term.
-   */
-  const string& GetUserSourceName(unsigned short i_user_source) const {
-    static const std::string none = "NONE";
-    if (n_user_sources > 0) return user_source_names[i_user_source]; else return none;
-  }
-
-  /*!
-   * \brief Get the ignition method used for combustion problems.
-   */
-  FLAMELET_INIT_TYPE GetFlameletInitType() const { return flame_init_type; }
-
-  /*!
-   * \brief Get the number of transported scalars for combustion.
-   */
-  unsigned short GetNLookups() const { return n_lookups; }
-
-  /*!
-   * \brief Get the name of the variable that we want to retrieve from the lookup table.
-   */
-  const string& GetLookupName(unsigned short i_lookup) const { return lookup_names[i_lookup]; }
-
   /*!
    * \brief Get the Young's modulus of elasticity.
    * \return Value of the Young's modulus of elasticity.
@@ -3970,29 +3847,6 @@ class CConfig {
    */
   unsigned short GetKind_FluidModel(void) const { return Kind_FluidModel; }
 
-  /*!
-   * \brief Datadriven method for EoS evaluation.
-   */
-  ENUM_DATADRIVEN_METHOD GetKind_DataDriven_Method(void) const { return Kind_DataDriven_Method; }
-
-  /*!
-   * \brief Get name of the input file for the data-driven fluid model interpolation method.
-   * \return Name of the input file for the interpolation method.
-   */
-  const string* GetDataDriven_FileNames(void) const { return DataDriven_Method_FileNames; }
-
-  /*!
-   * \brief Get number of listed look-up table or multi-layer perceptron input files.
-   * \return Number of listed data-driven method input files.
-   */
-  unsigned short GetNDataDriven_Files(void) const { return n_Datadriven_files; }
-
-  /*!
-   * \brief Get Newton solver relaxation factor for data-driven fluid models.
-   * \return Newton solver relaxation factor.
-   */
-  su2double GetRelaxation_DataDriven(void) const { return DataDriven_Relaxation_Factor; }
-
   /*!
    * \brief Returns the name of the fluid we are using in CoolProp.
    */
@@ -9939,4 +9793,17 @@ class CConfig {
    */
   LM_ParsedOptions GetLMParsedOptions() const { return lmParsedOptions; }
 
+
+  /*!
+   * \brief Get parsed option data structure for data-driven fluid model.
+   * \return option data structure for data-driven fluid model.
+   */
+  const DataDrivenFluid_ParsedOptions& GetDataDrivenParsedOptions() const { return datadriven_ParsedOptions; }
+
+  /*!
+   * \brief Get parsed option data structure for the flamelet fluid model.
+   * \return option data structure for the flamelet fluid model.
+   */
+  const FluidFlamelet_ParsedOptions& GetFlameletParsedOptions() const { return flamelet_ParsedOptions; }
+
 };

Common/include/geometry/CGeometry.hpp

@@ -243,6 +243,8 @@ class CGeometry {
   /*!< \brief Corrected normals on nodes with shared symmetry markers. */
   vector<std::unordered_map<unsigned long, std::array<su2double, MAXNDIM>>> symmetryNormals;
 
+  /*!< \brief Bool if boundary-marker is straight(2D)/plane(3D) for each local marker. */
+  vector<bool> boundIsStraight;
   vector<su2double> SurfaceAreaCfgFile; /*!< \brief Total Surface area for all markers. */
 
   /*--- Partitioning-specific variables ---*/
@@ -1005,6 +1007,15 @@ class CGeometry {
    */
   su2double GetSurfaceArea(const CConfig* config, unsigned short val_marker) const;
 
+  /*!
+   * \brief Check if a boundary is straight(2D) / plane(3D) for EULER_WALL and SYMMETRY_PLANE
+   *        only and store the information in boundIsStraight. For all other boundary types
+   *        this will return false and could therfore be wrong. Used ultimately for BC_Slip_Wall.
+   * \param[in] config - Definition of the particular problem.
+   * \param[in] print_on_screen - Boolean whether to print result on screen.
+   */
+  void ComputeSurfStraightness(const CConfig* config, bool print_on_screen);
+
   /*!
    * \brief Find and store all vertices on a sharp corner in the geometry.
    * \param[in] config - Definition of the particular problem.

Common/include/geometry/CMultiGridGeometry.hpp

@@ -123,7 +123,7 @@ class CMultiGridGeometry final : public CGeometry {
   void SetRestricted_GridVelocity(const CGeometry* fine_grid) override;
 
   /*!
-   * \brief Find and store the closest neighbor to a vertex.
+   * \brief Find and store the closest, most normal, neighbor to a vertex.
    * \param[in] config - Definition of the particular problem.
    */
   void FindNormal_Neighbor(const CConfig* config) override;

Common/include/geometry/CPhysicalGeometry.hpp

@@ -607,7 +607,7 @@ class CPhysicalGeometry final : public CGeometry {
   void ComputeMeshQualityStatistics(const CConfig* config) override;
 
   /*!
-   * \brief Find and store the closest neighbor to a vertex.
+   * \brief Find and store the closest, most normal, neighbor to a vertex.
    * \param[in] config - Definition of the particular problem.
    */
   void FindNormal_Neighbor(const CConfig* config) override;

Common/include/geometry/dual_grid/CVertex.hpp

@@ -45,7 +45,8 @@ class CVertex : public CDualGrid {
   long PeriodicPoint[5] = {-1};  /*!< \brief Store the periodic point of a boundary (iProcessor, iPoint) */
   bool ActDisk_Perimeter = false;      /*!< \brief Identify nodes at the perimeter of the actuator disk */
   short Rotation_Type;                 /*!< \brief Type of rotation associated with the vertex (MPI and periodic) */
-  unsigned long Normal_Neighbor;       /*!< \brief Index of the closest neighbor. */
+  unsigned long Normal_Neighbor;       /*!< \brief Index of the closest, most normal, neighbor. */
+  su2double NearestNeighborDist = 0.0; /*!< \brief Distance to nearest internal neighbor that is not a wall. */
   su2double Basis_Function[3] = {0.0}; /*!< \brief Basis function values for interpolation across zones. */
 
  public:
@@ -98,7 +99,7 @@ class CVertex : public CDualGrid {
    * \brief Get the normal to a face of the control volume asociated with a vertex.
    * \return Dimensional normal vector, the modulus is the area of the face.
    */
-  inline su2double* GetNormal(void) override { return Normal; }
+  inline su2double* GetNormal() override { return Normal; }
 
   /*!
    * \brief Get the ith component of the normal.
@@ -108,7 +109,7 @@ class CVertex : public CDualGrid {
   /*!
    * \brief Initialize normal vector.
    */
-  inline void SetZeroValues(void) override {
+  inline void SetZeroValues() override {
     for (unsigned short iDim = 0; iDim < nDim; iDim++) Normal[iDim] = 0.0;
   }
 
@@ -122,7 +123,7 @@ class CVertex : public CDualGrid {
    * \brief Get the value of an auxiliary variable for gradient computation.
    * \return Value of the auxiliar variable.
    */
-  inline su2double GetAuxVar(void) const { return Aux_Var; }
+  inline su2double GetAuxVar() const { return Aux_Var; }
 
   /*!
    * \brief Add the value of an auxiliary variable for gradient computation.
@@ -167,7 +168,7 @@ class CVertex : public CDualGrid {
    * \brief Get the value of the coordinate variation due to a surface modification.
    * \return Variation of the coordinate.
    */
-  inline su2double* GetVarCoord(void) { return VarCoord; }
+  inline su2double* GetVarCoord() { return VarCoord; }
 
   /*!
    * \brief Set the value of the cartesian coordinate for the vertex.
@@ -181,7 +182,7 @@ class CVertex : public CDualGrid {
    * \brief Get the value of the cartesian coordinate for the vertex.
    * \return Value of the cartesian coordinate of the vertex.
    */
-  inline su2double* GetCoord(void) override { return CartCoord; }
+  inline su2double* GetCoord() override { return CartCoord; }
 
   /*!
    * \brief Get the value of the cartesian coordinate for the vertex.
@@ -200,7 +201,7 @@ class CVertex : public CDualGrid {
    * \brief Get the type of rotation associated to the vertex.
    * \return Value of the rotation that must be applied to the solution of the vertex
    */
-  inline short GetRotation_Type(void) const { return Rotation_Type; }
+  inline short GetRotation_Type() const { return Rotation_Type; }
 
   /*!
    * \overload
@@ -250,49 +251,49 @@ class CVertex : public CDualGrid {
    * \brief Get the value of the periodic point of a vertex.
    * \return Value of the periodic point of a vertex.
    */
-  inline long GetDonorPoint(void) const { return PeriodicPoint[0]; }
+  inline long GetDonorPoint() const { return PeriodicPoint[0]; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex.
    * \return Value of the periodic point of a vertex.
    */
-  inline long GetDonorMarker(void) const { return PeriodicPoint[4]; }
+  inline long GetDonorMarker() const { return PeriodicPoint[4]; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex.
    * \return Value of the periodic point of a vertex.
    */
-  inline long GetDonorVertex(void) const { return PeriodicPoint[3]; }
+  inline long GetDonorVertex() const { return PeriodicPoint[3]; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex.
    * \return Value of the periodic point of a vertex.
    */
-  inline long GetDonorGlobalIndex(void) const { return PeriodicPoint[2]; }
+  inline long GetDonorGlobalIndex() const { return PeriodicPoint[2]; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex.
    * \return Value of the periodic point of a vertex.
    */
-  inline long GetGlobalDonorPoint(void) const { return PeriodicPoint[2]; }
+  inline long GetGlobalDonorPoint() const { return PeriodicPoint[2]; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex.
    * \return Value of the periodic point of a vertex.
    */
-  inline long GetDonorProcessor(void) const { return PeriodicPoint[1]; }
+  inline long GetDonorProcessor() const { return PeriodicPoint[1]; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex, and its somain
    * \return Value of the periodic point of a vertex, and the domain.
    */
-  inline long* GetPeriodicPointDomain(void) { return PeriodicPoint; }
+  inline long* GetPeriodicPointDomain() { return PeriodicPoint; }
 
   /*!
    * \brief Get the value of the periodic point of a vertex, and its somain
    * \return Value of the periodic point of a vertex, and the domain.
    */
-  inline bool GetActDisk_Perimeter(void) const { return ActDisk_Perimeter; }
+  inline bool GetActDisk_Perimeter() const { return ActDisk_Perimeter; }
 
   /*!
    * \brief Set the finite element basis functions needed for interpolation.
@@ -318,5 +319,15 @@ class CVertex : public CDualGrid {
    * \brief Get the value of the closest neighbor.
    * \return Index of the closest neighbor.
    */
-  inline unsigned long GetNormal_Neighbor(void) const { return Normal_Neighbor; }
+  inline unsigned long GetNormal_Neighbor() const { return Normal_Neighbor; }
+
+  /*!
+   * \brief Set the distance of the nearest internal neighbor that is not a wall.
+   */
+  inline void SetNearestNeighborDistance(const su2double& val) { NearestNeighborDist = val; }
+
+  /*!
+   * \brief Get the distance to the nearest internal neighbor that is not a wall.
+   */
+  inline const su2double& GetNearestNeighborDistance() const { return NearestNeighborDist; }
 };