NEML2 1.4.0
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SlipStrengthMap Class Reference

Parent class of maps between internal variables and the slip system strengths. More...

Detailed Description

Parent class of maps between internal variables and the slip system strengths.

#include <SlipStrengthMap.h>

Inheritance diagram for SlipStrengthMap:

Public Member Functions

 SlipStrengthMap (const OptionSet &options)
 
- Public Member Functions inherited from Model
 Model (const OptionSet &options)
 Construct a new Model object.
 
virtual std::vector< Diagnosispreflight () const
 Check for common problems.
 
virtual bool is_nonlinear_system () const
 Whether this model defines one or more nonlinear equations to be solved.
 
virtual void reinit (TorchShapeRef batch_shape, int deriv_order=0, const torch::Device &device=torch::kCPU, const torch::Dtype &dtype=NEML2_DTYPE)
 Allocate storage and setup views for all the variables of this model and recursively all of the sub-models.
 
virtual void reinit (const BatchTensor &tensor, int deriv_order)
 Allocate storage and setup views for all the variables of this model and recursively all of the sub-models. See the other overload for detailed description.
 
bool requires_grad () const
 Whether derivative has been requested for this model.
 
bool requires_2nd_grad () const
 Whether 2nd derivative has been requested for this model.
 
TorchSize batch_dim () const
 This model's batch dim.
 
TorchShapeRef batch_sizes () const
 This model's batch shape.
 
const torch::TensorOptions & options () const
 This model's tensor options.
 
const std::vector< Model * > & registered_models () const
 The models that may be used during the evaluation of this model.
 
Modelregistered_model (const std::string &name) const
 Get a registered model by its name.
 
virtual const std::set< VariableNameconsumed_items () const override
 The variables that this model depends on.
 
virtual const std::set< VariableNameprovided_items () const override
 The variables that this model defines as part of its output.
 
virtual void check_AD_limitation () const
 
void input_requires_grad_ (bool req=true)
 Set requires_grad for the input variables.
 
bool using_AD_1st_derivative () const
 Whether this model is using AD to get 1st derivatives.
 
bool using_AD_2nd_derivative () const
 Whether this model is using AD to get 2nd derivatives.
 
void use_AD_derivatives (bool first=true, bool second=true)
 Tell this model to use AD to get derivatives.
 
virtual void set_input (const LabeledVector &in)
 Set in to be the input of this model.
 
virtual LabeledVector get_output ()
 
virtual LabeledMatrix get_doutput_dinput ()
 
virtual LabeledTensor3D get_d2output_dinput2 ()
 
virtual LabeledVector value (const LabeledVector &in)
 Convenient shortcut to construct and return the model value.
 
virtual std::tuple< LabeledVector, LabeledMatrixvalue_and_dvalue (const LabeledVector &in)
 Convenient shortcut to construct and return the model value and its derivative.
 
virtual std::tuple< LabeledVector, LabeledMatrix, LabeledTensor3Dvalue_and_dvalue_and_d2value (const LabeledVector &in)
 Convenient shortcut to construct and return the model's value, first and second derivative.
 
virtual void value ()
 
virtual void value_and_dvalue ()
 
virtual void value_and_dvalue_and_d2value ()
 
- Public Member Functions inherited from Data
 Data (const OptionSet &options)
 Construct a new Data object.
 
const std::vector< Data * > & registered_data () const
 All the registered data objects.
 
- Public Member Functions inherited from NEML2Object
 NEML2Object (const OptionSet &options)
 Construct a new NEML2Object object.
 
virtual ~NEML2Object ()=default
 
const OptionSetinput_options () const
 
const std::string & name () const
 A readonly reference to the object's name.
 
const std::string & type () const
 A readonly reference to the object's type.
 
const std::string & path () const
 A readonly reference to the object's path.
 
const std::string & doc () const
 A readonly reference to the object's docstring.
 
template<typename T = NEML2Object>
const T * host () const
 Get a readonly pointer to the host.
 
template<typename T = NEML2Object>
T * host ()
 Get a writable pointer to the host.
 
- Public Member Functions inherited from BufferStore
 BufferStore (const OptionSet &options, NEML2Object *object)
 
const Storage< std::string, TensorValueBase > & named_buffers () const
 
Storage< std::string, TensorValueBase > & named_buffers ()
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<T>, T>>>
T & get_buffer (const std::string &name)
 }@
 
- Public Member Functions inherited from ParameterStore
 ParameterStore (const OptionSet &options, NEML2Object *object)
 
const Storage< std::string, TensorValueBase > & named_parameters () const
 
Storage< std::string, TensorValueBase > & named_parameters ()
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<T>, T>>>
T & get_parameter (const std::string &name)
 }@
 
bool has_nl_param () const
 Whether this parameter store has any nonlinear parameter.
 
const std::map< std::string, const VariableBase * > & nl_params () const
 Get all nonlinear parameters.
 
const VariableBasenl_param (const std::string &) const
 Query the existence of a nonlinear parameter.
 
- Public Member Functions inherited from VariableStore
 VariableStore (const OptionSet &options, NEML2Object *object)
 
LabeledAxisdeclare_axis (const std::string &name)
 
virtual void setup_layout ()
 Setup the layouts of all the registered axes.
 
VariableBaseinput_view (const VariableName &)
 Get the view of an input variable.
 
VariableBaseoutput_view (const VariableName &)
 Get the view of an output variable.
 
template<typename T = BatchTensor>
Variable< T > & get_input_variable (const VariableName &name)
 
template<typename T = BatchTensor>
const Variable< T > & get_input_variable (const VariableName &name) const
 
template<typename T = BatchTensor>
const Variable< T > & get_output_variable (const VariableName &name)
 
template<typename T = BatchTensor>
const Variable< T > & get_output_variable (const VariableName &name) const
 
LabeledAxisinput_axis ()
 
const LabeledAxisinput_axis () const
 
LabeledAxisoutput_axis ()
 
const LabeledAxisoutput_axis () const
 
Storage< VariableName, VariableBase > & input_views ()
 
const Storage< VariableName, VariableBase > & input_views () const
 
Storage< VariableName, VariableBase > & output_views ()
 
const Storage< VariableName, VariableBase > & output_views () const
 
LabeledVectorinput_storage ()
 
const LabeledVectorinput_storage () const
 
LabeledVectoroutput_storage ()
 
const LabeledVectoroutput_storage () const
 
LabeledMatrixderivative_storage ()
 
const LabeledMatrixderivative_storage () const
 
LabeledTensor3Dsecond_derivative_storage ()
 
const LabeledTensor3Dsecond_derivative_storage () const
 
- Public Member Functions inherited from NonlinearSystem
 NonlinearSystem (const OptionSet &options)
 
virtual void init_scaling (const bool verbose=false)
 Compute algebraic Jacobian-based automatic scaling following https://cs.stanford.edu/people/paulliu/files/cs517-project.pdf.
 
BatchTensor scale_residual (const BatchTensor &r) const
 Apply scaling to the residual.
 
BatchTensor scale_Jacobian (const BatchTensor &J) const
 Apply scaling to the Jacobian.
 
BatchTensor scale_direction (const BatchTensor &p) const
 Remove scaling from the search direction, i.e. \( J^{-1} r \).
 
virtual BatchTensor solution () const
 Get the solution vector.
 
BatchTensor residual (const BatchTensor &x)
 Convenient shortcut to set the current solution, assemble and return the system residual.
 
void residual ()
 Convenient shortcut to assemble and return the system residual.
 
BatchTensor Jacobian (const BatchTensor &x)
 Convenient shortcut to set the current solution, assemble and return the system Jacobian.
 
void Jacobian ()
 Convenient shortcut to assemble and return the system Jacobian.
 
std::tuple< BatchTensor, BatchTensorresidual_and_Jacobian (const BatchTensor &x)
 Convenient shortcut to set the current solution, assemble and return the system residual and Jacobian.
 
void residual_and_Jacobian ()
 Convenient shortcut to assemble and return the system residual and Jacobian.
 
const BatchTensorresidual_view () const
 
const BatchTensorJacobian_view () const
 
BatchTensor residual_norm () const
 The residual norm.
 

Static Public Member Functions

static OptionSet expected_options ()
 
- Static Public Member Functions inherited from Model
static OptionSet expected_options ()
 
- Static Public Member Functions inherited from Data
static OptionSet expected_options ()
 
- Static Public Member Functions inherited from NEML2Object
static OptionSet expected_options ()
 
- Static Public Member Functions inherited from NonlinearSystem
static OptionSet expected_options ()
 
static void disable_automatic_scaling (OptionSet &options)
 
static void enable_automatic_scaling (OptionSet &options)
 

Protected Attributes

const crystallography::CrystalGeometry_crystal_geometry
 Crystal geometry class with slip geometry.
 
Variable< BatchTensor > & _tau
 Slip strengths.
 
- Protected Attributes inherited from Model
std::vector< Model * > _registered_models
 Models this model may use during its evaluation.
 
bool _AD_1st_deriv
 Whether to use AD to compute 1st derivatives.
 
bool _AD_2nd_deriv
 Whether to use AD to compute 2nd derivatives.
 
- Protected Attributes inherited from Data
std::vector< Data * > _registered_data
 Registered Data objects.
 
- Protected Attributes inherited from NonlinearSystem
TorchSize _ndof
 Number of degrees of freedom.
 
BatchTensor _solution
 View for the solution of this nonlinear system.
 
BatchTensor _residual
 View for the residual of this nonlinear system.
 
BatchTensor _Jacobian
 View for the Jacobian of this nonlinear system.
 
BatchTensor _scaled_residual
 
BatchTensor _scaled_Jacobian
 
const bool _autoscale
 If true, do automatic scaling.
 
const Real _autoscale_tol
 Tolerance for convergence check of the iterative automatic scaling algorithm.
 
const unsigned int _autoscale_miter
 Maximum number of iterations allowed for the iterative automatic scaling algorithm.
 
bool _scaling_matrices_initialized
 Flag to indicate whether scaling matrices have been computed.
 
BatchTensor _row_scaling
 Row scaling "matrix" – since it's a batched diagonal matrix, we are only storing its diagonals.
 
BatchTensor _col_scaling
 Column scaling "matrix" – since it's a batched diagonal matrix, we are only storing its diagonals.
 

Additional Inherited Members

- Public Types inherited from Model
enum  Stage { SOLVING , UPDATING }
 
- Static Public Attributes inherited from Model
static enum neml2::Model::Stage stage = UPDATING
 
- Protected Member Functions inherited from Model
virtual void setup () override
 Setup this model.
 
virtual void allocate_variables (int deriv_order, bool options_changed)
 Call VariableStore::allocate_variables recursively on all submodels.
 
virtual void setup_input_views () override
 Call VariableStore::setup_input_views recursively on all submodels.
 
virtual void setup_submodel_input_views ()
 
virtual void setup_output_views () override
 Call VariableStore::setup_output_views recursively on all submodels.
 
virtual void setup_submodel_output_views ()
 
virtual void reinit_input_views () override
 Call VariableStore::reinit_input_views recursively on all submodels.
 
virtual void reinit_output_views (bool out, bool dout_din=true, bool d2out_din2=true) override
 Call VariableStore::reinit_output_views recursively on all submodels.
 
virtual void detach_and_zero (bool out, bool dout_din=true, bool d2out_din2=true) override
 Call VariableStore::detach_and_zero recursively on all submodels.
 
virtual void set_solution (const BatchTensor &x) override
 Set x as the current solution of the nonlinear system.
 
virtual void set_value (bool out, bool dout_din, bool d2out_din2)=0
 The map between input -> output, and optionally its derivatives.
 
virtual void cache (TorchShapeRef batch_shape) override
 Cache the variable's batch shape.
 
virtual void cache (const torch::TensorOptions &options)
 Cache tensor options.
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<Model, T>>>
T & register_model (const std::string &name, int extra_deriv_order=0, bool nonlinear=false, bool merge_input=true)
 Register a model that the current model may use during its evaluation.
 
virtual void assemble (bool residual, bool Jacobian) override
 Compute the residual and Jacobian.
 
virtual void allocate_variables (TorchShapeRef batch_shape, const torch::TensorOptions &options, bool in, bool out, bool dout_din, bool d2out_din2)
 Allocate variable storages given the batch shape and tensor options.
 
virtual void cache (TorchShapeRef batch_shape)
 Cache the variable's batch shape.
 
- Protected Member Functions inherited from Data
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<Data, T>>>
T & register_data (const std::string &name)
 
- Protected Member Functions inherited from BufferStore
virtual void send_buffers_to (const torch::TensorOptions &options)
 Send all buffers to options.
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<T>, T>>>
const T & declare_buffer (const std::string &name, const T &rawval)
 Declare a buffer.
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<T>, T>>>
const T & declare_buffer (const std::string &name, const std::string &input_option_name)
 Declare a buffer.
 
- Protected Member Functions inherited from ParameterStore
virtual void send_parameters_to (const torch::TensorOptions &options)
 Send parameters to options.
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<T>, T>>>
const T & declare_parameter (const std::string &name, const T &rawval)
 Declare a parameter.
 
template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<T>, T>>>
const T & declare_parameter (const std::string &name, const std::string &input_option_name)
 Declare a parameter.
 
- Protected Member Functions inherited from VariableStore
template<typename T , typename... S>
const Variable< T > & declare_input_variable (S &&... name)
 Declare an input variable.
 
template<typename... S>
const Variable< BatchTensor > & declare_input_variable (TorchSize sz, S &&... name)
 Declare an input variable (with unknown base shape at compile time)
 
template<typename T , typename... S>
const Variable< BatchTensor > & declare_input_variable_list (TorchSize list_size, S &&... name)
 Declare an input variable that is a list of tensors of fixed size.
 
template<typename T , typename... S>
Variable< T > & declare_output_variable (S &&... name)
 Declare an output variable.
 
template<typename... S>
Variable< BatchTensor > & declare_output_variable (TorchSize sz, S &&... name)
 Declare an input variable (with unknown base shape at compile time)
 
template<typename T , typename... S>
Variable< BatchTensor > & declare_output_variable_list (TorchSize list_size, S &&... name)
 Declare an output variable that is a list of tensors of fixed size.
 
template<typename T >
VariableName declare_variable (LabeledAxis &axis, const VariableName &var) const
 Declare an item recursively on an axis.
 
VariableName declare_variable (LabeledAxis &axis, const VariableName &var, TorchSize sz) const
 Declare an item (with known storage size) recursively on an axis.
 
VariableName declare_subaxis (LabeledAxis &axis, const VariableName &subaxis) const
 Declare a subaxis recursively on an axis.
 

Constructor & Destructor Documentation

◆ SlipStrengthMap()

Member Function Documentation

◆ expected_options()

OptionSet expected_options ( )
static

Member Data Documentation

◆ _crystal_geometry

const crystallography::CrystalGeometry& _crystal_geometry
protected

Crystal geometry class with slip geometry.

◆ _tau

Variable<BatchTensor>& _tau
protected

Slip strengths.