Parent class of slip rules, mapping from resolved shear and internal state to slip rates. More...

Detailed Description

Parent class of slip rules, mapping from resolved shear and internal state to slip rates.

#include <SlipRule.h>

Inheritance diagram for SlipRule:

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Public Member Functions
	SlipRule (const OptionSet &options)

Public Member Functions inherited from Model
	Model (const OptionSet &options)
	Construct a new Model object.

virtual std::vector< Diagnosis >	preflight () 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.

Model *	registered_model (const std::string &name) const
	Get a registered model by its name.

virtual const std::set< VariableName >	consumed_items () const override
	The variables that this model depends on.

virtual const std::set< VariableName >	provided_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, LabeledMatrix >	value_and_dvalue (const LabeledVector &in)
	Convenient shortcut to construct and return the model value and its derivative.

virtual std::tuple< LabeledVector, LabeledMatrix, LabeledTensor3D >	value_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 OptionSet &	input_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 VariableBase *	nl_param (const std::string &) const
	Query the existence of a nonlinear parameter.

Public Member Functions inherited from VariableStore
	VariableStore (const OptionSet &options, NEML2Object *object)

LabeledAxis &	declare_axis (const std::string &name)

virtual void	setup_layout ()
	Setup the layouts of all the registered axes.

VariableBase *	input_view (const VariableName &)
	Get the view of an input variable.

VariableBase *	output_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

LabeledAxis &	input_axis ()

const LabeledAxis &	input_axis () const

LabeledAxis &	output_axis ()

const LabeledAxis &	output_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

LabeledVector &	input_storage ()

const LabeledVector &	input_storage () const

LabeledVector &	output_storage ()

const LabeledVector &	output_storage () const

LabeledMatrix &	derivative_storage ()

const LabeledMatrix &	derivative_storage () const

LabeledTensor3D &	second_derivative_storage ()

const LabeledTensor3D &	second_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, BatchTensor >	residual_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 BatchTensor &	residual_view () const

const BatchTensor &	Jacobian_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 > &	_g
	Slip rates.

const Variable< BatchTensor > &	_rss
	Resolved shears.

const Variable< BatchTensor > &	_tau
	Slip strengths, mapped from internal variables.

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

◆ SlipRule()

SlipRule ( const OptionSet & options )

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.

◆ _g

Variable<BatchTensor>& _g

protected

Slip rates.

◆ _rss

const Variable<BatchTensor>& _rss

protected

Resolved shears.

◆ _tau

const Variable<BatchTensor>& _tau

protected

Slip strengths, mapped from internal variables.

Detailed Description

Public Member Functions

Static Public Member Functions

Protected Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ SlipRule()

Member Function Documentation

◆ expected_options()

Member Data Documentation

◆ _crystal_geometry

◆ _g

◆ _rss

◆ _tau