Defines the geometry of a crystal system This includes a basic definition of the crystal lattice, via Bravais vectors and a CrystalClass object defining the crystal symmetry as well as the definition of the geometry of each slip system. More...

Detailed Description

Defines the geometry of a crystal system This includes a basic definition of the crystal lattice, via Bravais vectors and a CrystalClass object defining the crystal symmetry as well as the definition of the geometry of each slip system.

#include <CrystalGeometry.h>

Inheritance diagram for CrystalGeometry:

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Public Member Functions
	CrystalGeometry (const OptionSet &options)
	Setup from parameter set.

	CrystalGeometry (const OptionSet &options, const R2 &cclass, const Vec &lattice_vectors)
	Alternate constructor not relying on options.

Vec	a1 () const
	accessor for the first lattice vector

Vec	a2 () const
	accessor for the second lattice vector

Vec	a3 () const
	accessor for the third lattice vector

Vec	b1 () const
	accessor for the first reciprocal lattice vector

Vec	b2 () const
	accessor for the second reciprocal lattice vector

Vec	b3 () const
	accessor for the third reciprocal lattice vector

TorchSize	nslip () const
	Total number of slip systems.

TorchSize	nslip_groups () const
	Number of slip groups.

TorchSize	nslip_in_group (TorchSize i) const
	Number of slip systems in a given group.

const Vec &	cartesian_slip_directions () const
	Accessor for the slip directions.

const Vec &	cartesian_slip_planes () const
	Accessor for the slip planes.

const Scalar &	burgers () const
	Accessor for the burgers vector.

const R2 &	A () const
	Accessor for the full Schmid tensors.

const SR2 &	M () const
	Accessor for the symmetric Schmid tensors.

const WR2 &	W () const
	Accessor for the skew-symmetric Schmid tensors.

const R2 &	symmetry_operators () const
	Accessor for the crystal class symmetry operators.

template<class Derived , typename = typename std::enable_if_t<std::is_base_of_v<BatchTensorBase<Derived>, Derived>>>
Derived	slip_slice (const Derived &tensor, TorchSize grp) const
	Slice a BatchTensor to provide only the batch associated with a slip system.

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

virtual void	setup ()
	Setup this object.

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)
	}@

Static Public Member Functions
static OptionSet	expected_options ()
	Input options.

Static Public Member Functions inherited from Data
static OptionSet	expected_options ()

Static Public Member Functions inherited from NEML2Object
static OptionSet	expected_options ()

Additional Inherited Members
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 Attributes inherited from Data
std::vector< Data * >	_registered_data
	Registered Data objects.

Constructor & Destructor Documentation

◆ CrystalGeometry() [1/2]

CrystalGeometry ( const OptionSet & options )

Setup from parameter set.

◆ CrystalGeometry() [2/2]

CrystalGeometry	(	const OptionSet &	options,
		const R2 &	cclass,
		const Vec &	lattice_vectors )

Alternate constructor not relying on options.

Member Function Documentation

◆ A()

const R2 & A ( ) const

inline

Accessor for the full Schmid tensors.

◆ a1()

Vec a1 ( ) const

accessor for the first lattice vector

◆ a2()

Vec a2 ( ) const

accessor for the second lattice vector

◆ a3()

Vec a3 ( ) const

accessor for the third lattice vector

◆ b1()

Vec b1 ( ) const

accessor for the first reciprocal lattice vector

◆ b2()

Vec b2 ( ) const

accessor for the second reciprocal lattice vector

◆ b3()

Vec b3 ( ) const

accessor for the third reciprocal lattice vector

◆ burgers()

const Scalar & burgers ( ) const

inline

Accessor for the burgers vector.

◆ cartesian_slip_directions()

const Vec & cartesian_slip_directions ( ) const

inline

Accessor for the slip directions.

◆ cartesian_slip_planes()

const Vec & cartesian_slip_planes ( ) const

inline

Accessor for the slip planes.

◆ expected_options()

OptionSet expected_options ( )

static

Input options.

◆ M()

const SR2 & M ( ) const

inline

Accessor for the symmetric Schmid tensors.

◆ nslip()

TorchSize nslip ( ) const

Total number of slip systems.

◆ nslip_groups()

TorchSize nslip_groups ( ) const

Number of slip groups.

◆ nslip_in_group()

TorchSize nslip_in_group ( TorchSize i ) const

Number of slip systems in a given group.

◆ slip_slice()

template<class Derived , typename >

Derived slip_slice	(	const Derived &	tensor,
		TorchSize	grp ) const

Slice a BatchTensor to provide only the batch associated with a slip system.

◆ symmetry_operators()

const R2 & symmetry_operators ( ) const

inline

Accessor for the crystal class symmetry operators.

◆ W()

const WR2 & W ( ) const

inline

Accessor for the skew-symmetric Schmid tensors.

Detailed Description

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

◆ CrystalGeometry() [1/2]

◆ CrystalGeometry() [2/2]

Member Function Documentation

◆ A()

◆ a1()

◆ a2()

◆ a3()

◆ b1()

◆ b2()

◆ b3()

◆ burgers()

◆ cartesian_slip_directions()

◆ cartesian_slip_planes()

◆ expected_options()

◆ M()

◆ nslip()

◆ nslip_groups()

◆ nslip_in_group()

◆ slip_slice()

◆ symmetry_operators()

◆ W()