Description of a regular grid of points in a periodic domain. More...

#include <Mesh.h>

Public Member Functions
	Mesh ()
	Default constructor. More...

	Mesh (Mesh< D > const &other)
	Copy constructor. More...

	Mesh (IntVec< D > const &dimensions)
	Constructor from grid dimensions. More...

Mesh< D > &	operator= (Mesh< D > const &other)
	Assignment operator. More...

void	setDimensions (IntVec< D > const &dimensions)
	Set the grid dimensions for an existing mesh. More...

IntVec< D >	dimensions () const
	Get an IntVec<D> of the grid dimensions. More...

int	dimension (int i) const
	Get grid dimension along Cartesian direction i. More...

int	size () const
	Get total number of grid points. More...

IntVec< D >	position (int rank) const
	Get the position IntVec<D> of a grid point with a specified rank. More...

int	rank (IntVec< D > const &position) const
	Get the rank of a grid point with specified position. More...

bool	isInMesh (int coordinate, int i) const
	Is this coordinate in range? More...

bool	isInMesh (IntVec< D > const &position) const
	Is this IntVec<D> grid position within the grid? More...

int	shift (int &coordinate, int i) const
	Shift a periodic coordinate into range. More...

IntVec< D >	shift (IntVec< D > &position) const
	Shift a periodic position into primary grid. More...

template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize to/from an archive. More...

Friends
std::istream &	operator>> (std::istream &, Mesh< D > &)
	Input stream extractor for reading a Mesh<D> object. More...

std::ostream &	operator<< (std::ostream &, Mesh< D > const &)
	Output stream inserter for writing a Mesh<D> object. More...

Detailed Description

template<int D>
class Pscf::Mesh< D >

Description of a regular grid of points in a periodic domain.

The coordinates of a point on a grid form an IntVec<D>, referred to here as a grid position. Each element of a grid position must lie in the range 0 <= position[i] < dimension(i), where i indexes a Cartesian axis, and dimension(i) is the dimension of the grid along axis i.

Each grid position is also assigned a non-negative integer rank. Mesh position ranks are ordered sequentially like elements in a multi-dimensional C array, with the last coordinate being the most rapidly varying.

Definition at line 60 of file Mesh.h.

Constructor & Destructor Documentation

◆ Mesh() [1/3]

template<int D>

Pscf::Mesh< D >::Mesh

Default constructor.

Grid dimensions and size are initialized to zero. All functions that set the dimensions and size after construction require that all dimensions are positive, yielding a positive size.

Definition at line 21 of file Mesh.tpp.

◆ Mesh() [2/3]

template<int D>

Pscf::Mesh< D >::Mesh ( Mesh< D > const & other )

Copy constructor.

Parameters

other Mesh<D> object being copied.

Definition at line 29 of file Mesh.tpp.

◆ Mesh() [3/3]

template<int D>

Pscf::Mesh< D >::Mesh ( IntVec< D > const & dimensions )

Constructor from grid dimensions.

Parameters

dimensions IntVec<D> of grid dimensions

Definition at line 37 of file Mesh.tpp.

References Pscf::Mesh< D >::dimensions(), and Pscf::Mesh< D >::setDimensions().

Member Function Documentation

◆ operator=()

template<int D>

Mesh< D > & Pscf::Mesh< D >::operator= ( Mesh< D > const & other )

Assignment operator.

Parameters

other Mesh<D> object being copied.

Definition at line 45 of file Mesh.tpp.

◆ setDimensions()

template<int D>

void Pscf::Mesh< D >::setDimensions ( IntVec< D > const & dimensions )

Set the grid dimensions for an existing mesh.

Parameters

dimensions IntVec<D> of grid dimensions.

Definition at line 53 of file Mesh.tpp.

References UTIL_THROW.

Referenced by Pscf::Mesh< D >::Mesh().

◆ dimensions()

template<int D>

IntVec< D > Pscf::Mesh< D >::dimensions

inline

Get an IntVec<D> of the grid dimensions.

Definition at line 217 of file Mesh.h.

Referenced by Pscf::Pspc::Propagator< D >::allocate(), Pscf::Pspg::WaveList< D >::allocate(), Pscf::Pspg::WaveList< D >::computeMinimumImages(), Pscf::Basis< D >::makeBasis(), Pscf::Mesh< D >::Mesh(), Pscf::Pspc::Block< D >::setDiscretization(), Pscf::Pspg::Block< D >::setDiscretization(), Pscf::Pspc::Solvent< D >::setDiscretization(), and Pscf::Pspg::Solvent< D >::setDiscretization().

◆ dimension()

template<int D>

int Pscf::Mesh< D >::dimension ( int i ) const

inline

Get grid dimension along Cartesian direction i.

Parameters

i	index of Cartesian direction 0 <=i < Util::Dimension

Definition at line 221 of file Mesh.h.

References Util::Dimension.

Referenced by Pscf::Pspg::WaveList< D >::allocate(), and Pscf::Pspg::WaveList< D >::computeMinimumImages().

◆ size()

template<int D>

int Pscf::Mesh< D >::size

inline

Get total number of grid points.

Value size() == 0 will be obtained iff the mesh was default constructed and has not yet been given meaningful initial values.

Definition at line 229 of file Mesh.h.

Referenced by pscfpp.file.File::__eq__(), pscfpp.text.Record::__init__(), pscfpp.file.File::__init__(), pscfpp.file.File::__repr__(), pscfpp.text.Record::__str__(), Pscf::Pspg::Propagator< D >::allocate(), Pscf::Pspg::WaveList< D >::allocate(), Pscf::Pspg::WaveList< D >::computeMinimumImages(), Pscf::Pspg::FieldIo< D >::convertBasisToKGrid(), Pscf::Pspc::FieldIo< D >::convertBasisToKGrid(), Pscf::Basis< D >::makeBasis(), Pscf::Pspc::Block< D >::setDiscretization(), and Pscf::Pspg::Block< D >::setDiscretization().

◆ position()

template<int D>

IntVec< D > Pscf::Mesh< D >::position ( int rank ) const

Get the position IntVec<D> of a grid point with a specified rank.

Parameters

rank	integer rank of a grid point.

Returns: IntVec<D> containing coordinates of specified point.

Definition at line 89 of file Mesh.tpp.

◆ rank()

template<int D>

int Pscf::Mesh< D >::rank ( IntVec< D > const & position ) const

Get the rank of a grid point with specified position.

Parameters

position integer position of a grid point

Returns: integer rank of specified grid point

Definition at line 72 of file Mesh.tpp.

Referenced by Pscf::Pspg::WaveList< D >::computeMinimumImages(), Pscf::Pspg::FieldIo< D >::convertBasisToKGrid(), Pscf::Pspc::FieldIo< D >::convertBasisToKGrid(), Pscf::Pspg::FieldIo< D >::convertKGridToBasis(), Pscf::Pspc::FieldIo< D >::convertKGridToBasis(), and Pscf::Pspc::FieldIo< D >::hasSymmetry().

◆ isInMesh() [1/2]

template<int D>

bool Pscf::Mesh< D >::isInMesh	(	int	coordinate,
		int	i
	)		const

Is this coordinate in range?

Parameters

coordinate	coordinate value for direction i
i	index for Cartesian direction

Returns: true iff 0 <= coordinate < dimension(i).

Definition at line 105 of file Mesh.tpp.

◆ isInMesh() [2/2]

template<int D>

bool Pscf::Mesh< D >::isInMesh ( IntVec< D > const & position ) const

Is this IntVec<D> grid position within the grid?

Returns true iff 0 <= coordinate[i] < dimension(i) for all i.

Parameters

position grid point position

Returns: true iff 0 <= coordinate[i] < dimension(i) for all i.

Definition at line 117 of file Mesh.tpp.

◆ shift() [1/2]

template<int D>

int Pscf::Mesh< D >::shift	(	int &	coordinate,
		int	i
	)		const

Shift a periodic coordinate into range.

Upon return, the coordinate will be shifted to lie within the range 0 <= coordinate < dimension(i) by subtracting an integer multiple of dimension(i), giving coordinate - shift*dimension(i). The return value is the required integer ‘shift’.

Parameters

coordinate	coordinate in Cartesian direction i.
i	index of Cartesian direction, i >= 0.

Returns: multiple of dimension(i) subtracted from input value.

Definition at line 131 of file Mesh.tpp.

Referenced by Pscf::Pspg::WaveList< D >::computeMinimumImages().

◆ shift() [2/2]

template<int D>

IntVec< D > Pscf::Mesh< D >::shift ( IntVec< D > & position ) const

Shift a periodic position into primary grid.

Upon return, each element of the parameter position is shifted to lie within the range 0 <= position[i] < dimension(i) by adding or subtracting an integer multiple of dimension(i). The IntVec<D> of shift values is returned.

Parameters

position IntVec<D> position within a grid.

Returns: IntVec<D> of integer shifts.

Definition at line 145 of file Mesh.tpp.

◆ serialize()

template<int D>

template<class Archive >

void Pscf::Mesh< D >::serialize	(	Archive &	ar,
		const unsigned int	version
	)

Serialize to/from an archive.

Parameters

ar	archive
version	archive version id

Definition at line 237 of file Mesh.h.

Friends And Related Function Documentation

◆ operator>>

template<int D>

std::istream & operator>>	(	std::istream &	in,
		Mesh< D > &	mesh
	)

friend

Input stream extractor for reading a Mesh<D> object.

Parameters

in	input stream
mesh	Mesh<D> object to be read

Returns: modified input stream

Definition at line 245 of file Mesh.h.

◆ operator<<

template<int D>

std::ostream & operator<<	(	std::ostream &	out,
		Mesh< D > const &	mesh
	)

friend

Output stream inserter for writing a Mesh<D> object.

Parameters

out	output stream
mesh	Mesh<D> to be written

Returns: modified output stream

Definition at line 257 of file Mesh.h.

The documentation for this class was generated from the following files:

Public Member Functions

Friends

Detailed Description

Constructor & Destructor Documentation

◆ Mesh() [1/3]

◆ Mesh() [2/3]

◆ Mesh() [3/3]

Member Function Documentation

◆ operator=()

◆ setDimensions()

◆ dimensions()

◆ dimension()

◆ size()

◆ position()

◆ rank()

◆ isInMesh() [1/2]

◆ isInMesh() [2/2]

◆ shift() [1/2]

◆ shift() [2/2]

◆ serialize()

Friends And Related Function Documentation

◆ operator>>

◆ operator<<