SymmetryFromOrbifold Class Reference

Provide the correct symmetry operators for a given crystal class. More...

Detailed Description

Provide the correct symmetry operators for a given crystal class.

#include <SymmetryFromOrbifold.h>

Inheritance diagram for SymmetryFromOrbifold:

Public Member Functions
	SymmetryFromOrbifold (const OptionSet &options)
	Setup the symmetry operators.
Public Member Functions inherited from R2
	R2 (const SR2 &S)
	Form a full R2 from a symmetric tensor.
	R2 (const WR2 &W)
	Form a full R2 from a skew-symmetric tensor.
	R2 (const Rot &r)
	Form rotation matrix from vector.
Public Member Functions inherited from R2Base< R2 >
	operator SR2 () const
	Conversion operator to symmetric second order tensor.
R2	rotate (const Rot &r) const
	Rotate using a Rodrigues vector.
R2	rotate (const R2 &R) const
	Rotate using a rotation matrix.
R3	drotate (const Rot &r) const
	Derivative of the rotated tensor w.r.t. the Rodrigues vector.
R4	drotate (const R2 &R) const
	Derivative of the rotated tensor w.r.t. the rotation matrix.
Scalar	operator() (TorchSize i, TorchSize j) const
	Accessor.
R2	inverse () const
	Inversion.
R2	transpose () const
	transpose
Public Member Functions inherited from FixedDimTensor< Derived, S >
	FixedDimTensor ()=default
	Default constructor.
	FixedDimTensor (const torch::Tensor &tensor, TorchSize batch_dim)
	Construct from another torch::Tensor given batch dimension.
	FixedDimTensor (const torch::Tensor &tensor)
	Construct from another torch::Tensor and infer batch dimension.
	operator BatchTensor () const
	Implicit conversion to a BatchTensor and loses information on the fixed base shape.
Public Member Functions inherited from BatchTensorBase< Derived >
	BatchTensorBase ()=default
	Default constructor.
	BatchTensorBase (const torch::Tensor &tensor, TorchSize batch_dim)
	Construct from another torch::Tensor.
	BatchTensorBase (const Derived &tensor)
	Copy constructor.
	BatchTensorBase (Real)=delete
bool	batched () const
	Whether the tensor is batched.
TorchSize	batch_dim () const
	Return the number of batch dimensions.
TorchSize &	batch_dim ()
	Return a writable reference to the batch dimension.
TorchSize	base_dim () const
	Return the number of base dimensions.
TorchShapeRef	batch_sizes () const
	Return the batch size.
TorchSize	batch_size (TorchSize index) const
	Return the length of some batch axis.
TorchShapeRef	base_sizes () const
	Return the base size.
TorchSize	base_size (TorchSize index) const
	Return the length of some base axis.
TorchSize	base_storage () const
	Return the flattened storage needed just for the base indices.
Derived	batch_index (TorchSlice indices) const
	Get a batch.
BatchTensor	base_index (const TorchSlice &indices) const
	Return an index sliced on the base dimensions.
void	batch_index_put (TorchSlice indices, const torch::Tensor &other)
	Set a index sliced on the batch dimensions to a value.
void	base_index_put (const TorchSlice &indices, const torch::Tensor &other)
	Set a index sliced on the base dimensions to a value.
Derived	batch_expand (TorchShapeRef batch_size) const
	Return a new view of the tensor with values broadcast along the batch dimensions.
BatchTensor	base_expand (TorchShapeRef base_size) const
	Return a new view of the tensor with values broadcast along the base dimensions.
template<class Derived2 >
Derived	batch_expand_as (const Derived2 &other) const
	Expand the batch to have the same shape as another tensor.
template<class Derived2 >
Derived2	base_expand_as (const Derived2 &other) const
	Expand the base to have the same shape as another tensor.
Derived	batch_expand_copy (TorchShapeRef batch_size) const
	Return a new tensor with values broadcast along the batch dimensions.
BatchTensor	base_expand_copy (TorchShapeRef base_size) const
	Return a new tensor with values broadcast along the base dimensions.
Derived	batch_reshape (TorchShapeRef batch_shape) const
	Reshape batch dimensions.
BatchTensor	base_reshape (TorchShapeRef base_shape) const
	Reshape base dimensions.
Derived	batch_unsqueeze (TorchSize d) const
	Unsqueeze a batch dimension.
Derived	list_unsqueeze () const
	Unsqueeze on the special list batch dimension.
BatchTensor	base_unsqueeze (TorchSize d) const
	Unsqueeze a base dimension.
Derived	batch_transpose (TorchSize d1, TorchSize d2) const
	Transpose two batch dimensions.
BatchTensor	base_transpose (TorchSize d1, TorchSize d2) const
	Transpose two base dimensions.
BatchTensor	base_movedim (TorchSize d1, TorchSize d2) const
	Move two base dimensions.
Derived	clone (torch::MemoryFormat memory_format=torch::MemoryFormat::Contiguous) const
	Clone (take ownership)
Derived	detach () const
	Discard function graph.
Derived	to (const torch::TensorOptions &options) const
	Send to options.
Derived	operator- () const
	Negation.
Derived	batch_sum (TorchSize d) const
	Sum on a batch index.
Derived	list_sum () const
	Sum on the list index (TODO: replace with class)
Public Member Functions inherited from UserTensor
	UserTensor (const OptionSet &options)
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.

Static Public Member Functions
static OptionSet	expected_options ()
Static Public Member Functions inherited from R2
static R4	identity_map (const torch::TensorOptions &options=default_tensor_options())
	The derivative of a R2 with respect to itself.
Static Public Member Functions inherited from R2Base< R2 >
static R2	fill (const Real &a, const torch::TensorOptions &options=default_tensor_options())
	Fill the diagonals with a11 = a22 = a33 = a.
static R2	fill (const Scalar &a)
static R2	fill (const Real &a11, const Real &a22, const Real &a33, const torch::TensorOptions &options=default_tensor_options())
	Fill the diagonals with a11, a22, a33.
static R2	fill (const Scalar &a11, const Scalar &a22, const Scalar &a33)
static R2	fill (const Real &a11, const Real &a22, const Real &a33, const Real &a23, const Real &a13, const Real &a12, const torch::TensorOptions &options=default_tensor_options())
	Fill symmetric entries.
static R2	fill (const Scalar &a11, const Scalar &a22, const Scalar &a33, const Scalar &a23, const Scalar &a13, const Scalar &a12)
static R2	fill (const Real &a11, const Real &a12, const Real &a13, const Real &a21, const Real &a22, const Real &a23, const Real &a31, const Real &a32, const Real &a33, const torch::TensorOptions &options=default_tensor_options())
	Fill all entries.
static R2	fill (const Scalar &a11, const Scalar &a12, const Scalar &a13, const Scalar &a21, const Scalar &a22, const Scalar &a23, const Scalar &a31, const Scalar &a32, const Scalar &a33)
static R2	skew (const Vec &v)
	Skew matrix from Vec.
static R2	identity (const torch::TensorOptions &options=default_tensor_options())
	Identity.
Static Public Member Functions inherited from FixedDimTensor< Derived, S >
static Derived	empty (const torch::TensorOptions &options=default_tensor_options())
	Unbatched empty tensor.
static Derived	empty (TorchShapeRef batch_shape, const torch::TensorOptions &options=default_tensor_options())
	Empty tensor given batch shape.
static Derived	zeros (const torch::TensorOptions &options=default_tensor_options())
	Unbatched zero tensor.
static Derived	zeros (TorchShapeRef batch_shape, const torch::TensorOptions &options=default_tensor_options())
	Zero tensor given batch shape.
static Derived	ones (const torch::TensorOptions &options=default_tensor_options())
	Unbatched unit tensor.
static Derived	ones (TorchShapeRef batch_shape, const torch::TensorOptions &options=default_tensor_options())
	Unit tensor given batch shape.
static Derived	full (Real init, const torch::TensorOptions &options=default_tensor_options())
	Unbatched tensor filled with a given value given base shape.
static Derived	full (TorchShapeRef batch_shape, Real init, const torch::TensorOptions &options=default_tensor_options())
	Full tensor given batch shape.
static BatchTensor	identity_map (const torch::TensorOptions &)
	Derived tensor classes should define identity_map where appropriate.
Static Public Member Functions inherited from BatchTensorBase< Derived >
static Derived	empty_like (const Derived &other)
	Empty tensor like another, i.e. same batch and base shapes, same tensor options, etc.
static Derived	zeros_like (const Derived &other)
	Zero tensor like another, i.e. same batch and base shapes, same tensor options, etc.
static Derived	ones_like (const Derived &other)
	Unit tensor like another, i.e. same batch and base shapes, same tensor options, etc.
static Derived	full_like (const Derived &other, Real init)
static Derived	linspace (const Derived &start, const Derived &end, TorchSize nstep, TorchSize dim=0, TorchSize batch_dim=-1)
	Create a new tensor by adding a new batch dimension with linear spacing between start and end.
static Derived	logspace (const Derived &start, const Derived &end, TorchSize nstep, TorchSize dim=0, TorchSize batch_dim=-1, Real base=10)
	log-space equivalent of the linspace named constructor
Static Public Member Functions inherited from UserTensor
static OptionSet	expected_options ()
Static Public Member Functions inherited from NEML2Object
static OptionSet	expected_options ()

Additional Inherited Members
Static Public Attributes inherited from FixedDimTensor< Derived, S >
static const TorchShape	const_base_sizes = {S...}
	The base shape.
static constexpr TorchSize	const_base_dim = sizeof...(S)
	The base dim.
static const TorchSize	const_base_storage = utils::storage_size({S...})
	The base storage.

Constructor & Destructor Documentation

SymmetryFromOrbifold()

SymmetryFromOrbifold

(

const OptionSet &

options

)

Setup the symmetry operators.

Parameters

options

The options extracted from the input file.

Member Function Documentation

expected_options()

OptionSet expected_options ( )

static