Refactor engineering material models to use History and Tensor objects

CMakeLists.txt

@@ -7,8 +7,8 @@ set(NEML_version 1.4.1)
 ### Setup modules ###
 set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_SOURCE_DIR}/cmake/Modules/")
 
-### Need c++ 11 ###
-set(CMAKE_CXX_STANDARD 11)
+### Need c++ 17 ###
+set(CMAKE_CXX_STANDARD 17)
 set(CMAKE_CXX_STANDARD_REQUIRED ON)
 
 ### Default to shared libs ###

include/cp/crystaldamage.h

@@ -17,7 +17,7 @@ class SlipPlaneDamage;
 class TransformationFunction;
 
 /// Abstract base class for slip plane damage models
-class NEML_EXPORT CrystalDamageModel: public NEMLObject {
+class NEML_EXPORT CrystalDamageModel: public HistoryNEMLObject {
  public:
   CrystalDamageModel(ParameterSet & params,
                      std::vector<std::string> vars);
@@ -32,9 +32,9 @@ class NEML_EXPORT CrystalDamageModel: public NEMLObject {
   virtual void set_varnames(std::vector<std::string> names);
 
   /// Setup whatever history variables the model requires
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Initialize history
-  virtual void init_history(History & history) const = 0;
+  virtual void init_hist(History & history) const = 0;
 
   /// Returns the current projection operator
   virtual SymSymR4 projection(
@@ -85,7 +85,7 @@ class NEML_EXPORT NilDamageModel: public CrystalDamageModel {
   static ParameterSet parameters();
 
   /// Initialize history
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Returns the current projection operator
   virtual SymSymR4 projection(
@@ -136,7 +136,7 @@ class NEML_EXPORT PlanarDamageModel: public CrystalDamageModel {
   static ParameterSet parameters();
 
   /// Initialize history
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Returns the current projection operator
   virtual SymSymR4 projection(

include/cp/hucocks.h

@@ -12,7 +12,7 @@ namespace neml {
 
 /// Implementation of a single chemistry <-> size model
 //  For details see Hu et al. MSE A, 2020
-class NEML_EXPORT HuCocksPrecipitationModel: public NEMLObject
+class NEML_EXPORT HuCocksPrecipitationModel: public HistoryNEMLObject
 {
  public:
   HuCocksPrecipitationModel(ParameterSet & params);
@@ -30,9 +30,9 @@ class NEML_EXPORT HuCocksPrecipitationModel: public NEMLObject
   virtual void set_varnames(std::vector<std::string> vars);
 
   /// Request whatever history you will need
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Setup history
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Actual (unscaled) f
   double f(const History & history) const;
@@ -207,9 +207,9 @@ class NEML_EXPORT DislocationSpacingHardening: public SlipHardening
   virtual void set_varnames(std::vector<std::string> vars);
 
   /// Request whatever history you will need
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Setup history
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Map the set of history variables to the slip system hardening
   virtual double hist_to_tau(size_t g, size_t i, const History & history,
@@ -283,9 +283,9 @@ class NEML_EXPORT HuCocksHardening: public SlipHardening
   virtual void set_varnames(std::vector<std::string> vars);
 
   /// Request whatever history you will need
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Setup history
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Map the set of history variables to the slip system hardening
   virtual double hist_to_tau(size_t g, size_t i, const History & history,

include/cp/inelasticity.h

@@ -17,13 +17,9 @@ namespace neml {
 /// A inelastic model supplying D_p and W_p
 //  A complete model for implicit rotations would include the derivatives wrt
 //  the orientation.  Similarly it would include all the w_p derivatives.
-class NEML_EXPORT InelasticModel: public NEMLObject {
+class NEML_EXPORT InelasticModel: public HistoryNEMLObject {
  public:
   InelasticModel(ParameterSet & params);
-  /// Populate a history object with the correct variables
-  virtual void populate_history(History & history) const = 0;
-  /// Actually initialize the history object with the starting values
-  virtual void init_history(History & history) const = 0;
 
   /// Helper for external models that want an average strength
   virtual double strength(const History & history, Lattice & L, double T,
@@ -103,9 +99,9 @@ class NEML_EXPORT NoInelasticity: public InelasticModel {
   static ParameterSet parameters();
 
   /// Add history variables (none needed)
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Define initial history (none)
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Helper for external models that want an average strength
   virtual double strength(const History & history, Lattice & L, double T,
@@ -185,9 +181,9 @@ class NEML_EXPORT AsaroInelasticity: public InelasticModel {
   static ParameterSet parameters();
 
   /// Populate the history, deferred to the SlipRule
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Initialize the history with the starting values, deferred to the SlipRule
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Helper for external models that want an average strength
   virtual double strength(const History & history, Lattice & L, double T,
@@ -277,9 +273,9 @@ class NEML_EXPORT PowerLawInelasticity: public InelasticModel {
   static ParameterSet parameters();
 
   /// Setup history variables (none used in this implementation)
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Initialize the history variables (n/a)
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Helper for external models that want an average strength
   virtual double strength(const History & history, Lattice & L, double T,
@@ -377,9 +373,9 @@ class NEML_EXPORT CombinedInelasticity: public InelasticModel {
                           const History & fixed) const;
 
   /// Setup all history variables
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Initialize history with actual values
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Sum the symmetric parts of the plastic deformation rates
   virtual Symmetric d_p(const Symmetric & stress,

include/cp/kinematics.h

@@ -17,13 +17,9 @@
 namespace neml {
 
 /// Describes the stress, history, and rotation rates
-class NEML_EXPORT KinematicModel: public NEMLObject {
+class NEML_EXPORT KinematicModel: public HistoryNEMLObject {
  public:
   KinematicModel(ParameterSet & params);
-  /// Populate history with the correct variable names and types
-  virtual void populate_history(History & history) const = 0;
-  /// Initialize history with actual starting values
-  virtual void init_history(History & history) const = 0;
 
   /// Helper for external models that want a strength
   virtual double strength(const History & history, Lattice & L, double T,
@@ -171,9 +167,9 @@ class NEML_EXPORT StandardKinematicModel: public KinematicModel {
   static ParameterSet parameters();
 
   /// Populate a history object with the correct variables
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Initialize the history object with the starting values
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Helper for external models that want a strength
   virtual double strength(const History & history, Lattice & L, double T,
@@ -305,9 +301,9 @@ class NEML_EXPORT DamagedStandardKinematicModel: public StandardKinematicModel {
   static ParameterSet parameters();
 
   /// Populate a history object with the correct variables
-  virtual void populate_history(History & history) const;
+  virtual void populate_hist(History & history) const;
   /// Initialize the history object with the starting values
-  virtual void init_history(History & history) const;
+  virtual void init_hist(History & history) const;
 
   /// Stress rate
   virtual Symmetric stress_rate(

include/cp/polycrystal.h

@@ -15,9 +15,12 @@ class NEML_EXPORT PolycrystalModel: public NEMLModel_ldi
   PolycrystalModel(ParameterSet & params);
 
   size_t n() const;
+
+  virtual void populate_hist(History & hist) const;
+  virtual void init_hist(History & hist) const;
 
-  virtual size_t nhist() const;
-  virtual void init_hist(double * const hist) const;
+  virtual void populate_state(History & hist) const {};
+  virtual void init_state(History & hist) const {};
 
   double * history(double * const store, size_t i) const;
   double * stress(double * const store, size_t i) const;
@@ -49,9 +52,6 @@ class NEML_EXPORT TaylorModel: public PolycrystalModel
   /// Setup from a ParameterSet
   static std::unique_ptr<NEMLObject> initialize(ParameterSet & params);
 
-  virtual size_t nstore() const;
-  virtual void init_store(double * const store) const;
-
   /// Large strain incremental update
   virtual void update_ld_inc(
      const double * const d_np1, const double * const d_n,

include/cp/postprocessors.h

@@ -16,8 +16,8 @@ class NEML_EXPORT CrystalPostprocessor: public NEMLObject {
  public:
   CrystalPostprocessor(ParameterSet & params);
 
-  virtual void populate_history(const Lattice & L, History & history) const = 0;
-  virtual void init_history(const Lattice & L, History & history) const = 0;
+  virtual void populate_hist(const Lattice & L, History & history) const = 0;
+  virtual void init_hist(const Lattice & L, History & history) const = 0;
 
   virtual void act(SingleCrystalModel & model, const Lattice &,
                    const double & T, const Symmetric & D,
@@ -37,8 +37,8 @@ class NEML_EXPORT PTRTwinReorientation: public CrystalPostprocessor {
   /// Setup from a ParameterSet
   static std::unique_ptr<NEMLObject> initialize(ParameterSet & params);
 
-  virtual void populate_history(const Lattice & L, History & history) const;
-  virtual void init_history(const Lattice & L, History & history) const;
+  virtual void populate_hist(const Lattice & L, History & history) const;
+  virtual void init_hist(const Lattice & L, History & history) const;
 
   virtual void act(SingleCrystalModel & model, const Lattice &,
                    const double & T, const Symmetric & D,

include/cp/singlecrystal.h

@@ -57,10 +57,14 @@ class NEML_EXPORT SingleCrystalModel: public NEMLModel_ldi, public Solvable
   static std::unique_ptr<NEMLObject> initialize(ParameterSet & params);
 
   /// Setup blank history
-  void populate_history(History & history) const;
-
+  void populate_state(History & history) const;
   /// Actually initialize history
-  void init_history(History & history) const;
+  void init_state(History & history) const;
+
+  /// Not changing state
+  void populate_static(History & history) const;
+  /// Static stat
+  void init_static(History & history) const;
 
   /// Useful methods for external models that want an idea of an average
   /// strength
@@ -71,21 +75,16 @@ class NEML_EXPORT SingleCrystalModel: public NEMLModel_ldi, public Solvable
           double * Fe) const;
 
   /// Large deformation incremental update
-  virtual void update_ld_inc(
-       const double * const d_np1, const double * const d_n,
-       const double * const w_np1, const double * const w_n,
-       double T_np1, double T_n,
-       double t_np1, double t_n,
-       double * const s_np1, const double * const s_n,
-       double * const h_np1, const double * const h_n,
-       double * const A_np1, double * const B_np1,
-       double & u_np1, double u_n,
-       double & p_np1, double p_n);
-
-  /// Number of stored history variables
-  virtual size_t nhist() const;
-  /// Initialize history raw pointer array
-  virtual void init_hist(double * const hist) const;
+  virtual void update_ld_inc_interface(
+      const Symmetric & d_np1, const Symmetric & d_n,
+      const Skew & w_np1, const Skew & w_n,
+      double T_np1, double T_n,
+      double t_np1, double t_n,
+      Symmetric & s_np1, const Symmetric & s_n,
+      History & h_np1, const History & h_n,
+      SymSymR4 & A_np1, SymSkewR4 & B_np1,
+      double & u_np1, double u_n, 
+      double & p_np1, double p_n);
 
   /// Instantaneous CTE
   virtual double alpha(double T) const;
@@ -129,19 +128,15 @@ class NEML_EXPORT SingleCrystalModel: public NEMLModel_ldi, public Solvable
 
  private:
   void attempt_update_ld_inc_(
-       const double * const d_np1, const double * const d_n,
-       const double * const w_np1, const double * const w_n,
-       double T_np1, double T_n,
-       double t_np1, double t_n,
-       double * const s_np1, const double * const s_n,
-       double * const h_np1, const double * const h_n,
-       double * const A_np1, double * const B_np1,
-       double & u_np1, double u_n,
-       double & p_np1, double p_n, int trial_type);
-
-  History gather_history_(double * data) const;
-  History gather_history_(const double * data) const;
-  History gather_blank_history_() const;
+      const Symmetric & d_np1, const Symmetric & d_n,
+      const Skew & w_np1, const Skew & w_n,
+      double T_np1, double T_n,
+      double t_np1, double t_n,
+      Symmetric & s_np1, const Symmetric & s_n,
+      History & h_np1, const History & h_n,
+      SymSymR4 & A_np1, SymSkewR4 & B_np1,
+      double & u_np1, double u_n, 
+      double & p_np1, double p_n, int trial_type);
 
   void calc_tangents_(Symmetric & S, History & H,
                       SCTrialState * ts, double * const A, double * const B);
@@ -156,10 +151,6 @@ class NEML_EXPORT SingleCrystalModel: public NEMLModel_ldi, public Solvable
 
   void solve_substep_(SCTrialState * ts, Symmetric & stress, History & hist);
 
-  std::vector<std::string> not_updated_() const;
-
-  void populate_static_(History & history) const;
-
  private:
   std::shared_ptr<KinematicModel> kinematics_;
   std::shared_ptr<Lattice> lattice_;
@@ -171,11 +162,7 @@ class NEML_EXPORT SingleCrystalModel: public NEMLModel_ldi, public Solvable
   bool verbose_, linesearch_;
   int max_divide_;
 
-  History stored_hist_;
-
   std::vector<std::shared_ptr<CrystalPostprocessor>> postprocessors_;
-  std::vector<std::string> static_names_;
-  size_t static_size_;
 
   bool elastic_predictor_, fallback_elastic_predictor_;
   int force_divide_;