File input/output operations and format conversions for fields. More...

#include <FieldIo.h>

Inheritance diagram for Pscf::Rpc::FieldIo< D >:

Public Member Functions
	FieldIo ()
	Default constructor.

	~FieldIo ()
	Destructor.

void	readFieldsRGrid (std::istream &in, DArray< RField< D > > &fields, UnitCell< D > &unitCell) const override
	Read array of RField objects (r-grid fields) from a stream.

void	readFieldsRGridData (std::istream &in, DArray< RField< D > > &fields, int nMonomer) const override
	Read data for an array of r-grid fields, with no header section.

void	readFieldRGrid (std::istream &in, RField< D > &field, UnitCell< D > &unitCell) const override
	Read a single RField (field on an r-space grid) from a stream.

void	writeFieldsRGrid (std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, bool writeHeader=true, bool isSymmetric=true, bool writeMeshSize=true) const override
	Write array of RField objects (fields on r-space grid) to a stream.

void	writeFieldRGrid (std::ostream &out, RField< D > const &field, UnitCell< D > const &unitCell, bool writeHeader=true, bool isSymmetric=true) const override
	Write a single RField (field on an r-space grid) to a stream.

void	readFieldsKGrid (std::istream &in, DArray< RFieldDft< D > > &fields, UnitCell< D > &unitCell) const override
	Read array of RFieldDft objects (k-space fields) from a stream.

void	writeFieldsKGrid (std::ostream &out, DArray< RFieldDft< D > > const &fields, UnitCell< D > const &unitCell, bool isSymmetric=true) const override
	Write array of RFieldDft objects (k-space fields) to file.

void	convertBasisToKGrid (DArray< double > const &components, RFieldDft< D > &dft) const override
	Convert a field from symmetrized basis to Fourier grid (k-grid).

void	convertKGridToBasis (RFieldDft< D > const &in, DArray< double > &out, bool checkSymmetry=true, double epsilon=1.0e-8) const override
	Convert a field from Fourier (k-grid) to symmetrized basis form.

bool	hasSymmetry (RFieldDft< D > const &in, double epsilon=1.0e-8, bool verbose=true) const override
	Check if a k-grid field has the declared space group symmetry.

void	scaleFieldBasis (DArray< double > &field, double factor) const override
	Rescale a single field in basis format by a scalar factor.

void	scaleFieldRGrid (RField< D > &field, double factor) const override
	Rescale a single r-grid field by a scalar factor.

void	expandRGridDimension (std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, int d, DArray< int > const &newGridDimensions) const override
	Expand spatial dimension of an array of r-grid fields.

void	replicateUnitCell (std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, IntVec< D > const &replicas) const override
	Write r-grid fields in a replicated unit cell to std::ostream.

Public Member Functions inherited from Pscf::Prdc::FieldIoReal< D, RField< D >, RFieldDft< D >, FFT< D > >
	FieldIoReal ()
	Constructor.

virtual	~FieldIoReal ()
	Destructor.

void	associate (Mesh< D > const &mesh, FFT< D > const &fft, typename UnitCell< D >::LatticeSystem const &lattice, bool const &hasGroup, std::string const &groupName, SpaceGroup< D > const &group, Basis< D > &basis)
	Create association with other objects in parent Domain.

void	setFileMaster (FileMaster const &fileMaster)
	Create an association with a FileMaster.

void	readFieldsBasis (std::istream &in, DArray< DArray< double > > &fields, UnitCell< D > &unitCell) const
	Read concentration or chemical potential fields from file.

void	readFieldsBasis (std::string filename, DArray< DArray< double > > &fields, UnitCell< D > &unitCell) const
	Read concentration or chemical potential components from file.

void	readFieldBasis (std::istream &in, DArray< double > &field, UnitCell< D > &unitCell) const
	Read single concentration or chemical potential field from file.

void	readFieldBasis (std::string filename, DArray< double > &field, UnitCell< D > &unitCell) const
	Read single concentration or chemical potential field from file.

void	writeFieldBasis (std::string filename, DArray< double > const &field, UnitCell< D > const &unitCell) const
	Write single concentration or chemical potential field to file.

void	writeFieldBasis (std::ostream &out, DArray< double > const &field, UnitCell< D > const &unitCell) const
	Write a single field in basis format to an output stream.

void	writeFieldsBasis (std::ostream &out, DArray< DArray< double > > const &fields, UnitCell< D > const &unitCell) const
	Write concentration or chemical potential field components to file.

void	writeFieldsBasis (std::string filename, DArray< DArray< double > > const &fields, UnitCell< D > const &unitCell) const
	Write concentration or chemical potential field components to file.

virtual void	readFieldsRGrid (std::istream &in, DArray< RField< D > > &fields, UnitCell< D > &unitCell) const
	Read array of RField objects (r-grid fields) from an istream.

void	readFieldsRGrid (std::string filename, DArray< RField< D > > &fields, UnitCell< D > &unitCell) const
	Read array of RField objects (fields on r-space grid) from file.

virtual void	readFieldsRGridData (std::istream &in, DArray< RField< D > > &fields, int nMonomer) const
	Read data for array of r-grid fields, with no header section.

virtual void	readFieldRGrid (std::istream &in, RField< D > &field, UnitCell< D > &unitCell) const
	Read single RField (field on an r-space grid) from an istream.

void	readFieldRGrid (std::string filename, RField< D > &field, UnitCell< D > &unitCell) const
	Read single RField (field on an r-space grid) from named file.

virtual void	writeFieldsRGrid (std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, bool writeHeader=true, bool isSymmetric=true, bool writeMeshSize=true) const
	Write array of RField objects (fields on r-space grid) to ostream.

void	writeFieldsRGrid (std::string filename, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, bool isSymmetric=true) const
	Write array of RField objects (fields on an r-space grid) to file.

virtual void	writeFieldRGrid (std::ostream &out, RField< D > const &field, UnitCell< D > const &unitCell, bool writeHeader=true, bool isSymmetric=true) const
	Write a single RField (field on an r-space grid) to ostream.

void	writeFieldRGrid (std::string filename, RField< D > const &field, UnitCell< D > const &unitCell, bool isSymmetric=true) const
	Write a single RField (fields on an r-space grid) to a file.

virtual void	readFieldsKGrid (std::istream &in, DArray< RFieldDft< D > > &fields, UnitCell< D > &unitCell) const
	Read array of RFieldDft objects (k-space fields) from istream.

void	readFieldsKGrid (std::string filename, DArray< RFieldDft< D > > &fields, UnitCell< D > &unitCell) const
	Read array of RFieldDft objects (k-space fields) from file.

virtual void	writeFieldsKGrid (std::ostream &out, DArray< RFieldDft< D > > const &fields, UnitCell< D > const &unitCell, bool isSymmetric=true) const
	Write array of RFieldDft objects (k-space fields) to file.

void	writeFieldsKGrid (std::string filename, DArray< RFieldDft< D > > const &fields, UnitCell< D > const &unitCell, bool isSymmetric=true) const
	Write array of RFieldDft objects (k-space fields) to a file.

virtual void	convertBasisToKGrid (DArray< double > const &components, RFieldDft< D > &dft) const
	Convert a field from symmetrized basis to Fourier grid (k-grid).

void	convertBasisToKGrid (DArray< DArray< double > > const &in, DArray< RFieldDft< D > > &out) const
	Convert fields from symmetrized basis to Fourier grid (k-grid).

virtual void	convertKGridToBasis (RFieldDft< D > const &in, DArray< double > &out, bool checkSymmetry=true, double epsilon=1.0e-8) const
	Convert a field from Fourier (k-grid) to symmetrized basis form.

void	convertKGridToBasis (DArray< RFieldDft< D > > const &in, DArray< DArray< double > > &out, bool checkSymmetry=true, double epsilon=1.0e-8) const
	Convert multiple fields from Fourier (k-grid) to symmetrized basis.

void	convertBasisToRGrid (DArray< double > const &in, RField< D > &out) const
	Convert a field from symmetrized basis to spatial grid (r-grid).

void	convertBasisToRGrid (DArray< DArray< double > > const &in, DArray< RField< D > > &out) const
	Convert fields from symmetrized basis to spatial grid (r-grid).

void	convertRGridToBasis (RField< D > const &in, DArray< double > &out, bool checkSymmetry=true, double epsilon=1.0e-8) const
	Convert a field from spatial grid (r-grid) to symmetrized basis.

void	convertRGridToBasis (DArray< RField< D > > const &in, DArray< DArray< double > > &out, bool checkSymmetry=true, double epsilon=1.0e-8) const
	Convert fields from spatial grid (r-grid) to symmetrized basis.

void	convertKGridToRGrid (DArray< RFieldDft< D > > const &in, DArray< RField< D > > &out) const
	Convert fields from k-grid (DFT) to real space (r-grid) format.

void	convertKGridToRGrid (RFieldDft< D > const &in, RField< D > &out) const
	Convert a field from k-grid (DFT) to real space (r-grid) format.

void	convertRGridToKGrid (DArray< RField< D > > const &in, DArray< RFieldDft< D > > &out) const
	Convert fields from spatial grid (r-grid) to k-grid format.

void	convertRGridToKGrid (RField< D > const &in, RFieldDft< D > &out) const
	Convert a field from spatial grid (r-grid) to k-grid format.

virtual bool	hasSymmetry (RFieldDft< D > const &in, double epsilon=1.0e-8, bool verbose=true) const
	Check if a k-grid field has the declared space group symmetry.

bool	hasSymmetry (RField< D > const &in, double epsilon=1.0e-8, bool verbose=true) const
	Check if an r-grid field has the declared space group symmetry.

void	scaleFieldsBasis (DArray< DArray< double > > &fields, double factor) const
	Scale an array of fields in basis format by a real scalar.

virtual void	scaleFieldRGrid (RField< D > &field, double factor) const
	Multiply a single field in r-grid format by a real scalar.

void	scaleFieldsRGrid (DArray< RField< D > > &fields, double factor) const
	Scale an array of r-grid fields by a real scalar.

virtual void	replicateUnitCell (std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, IntVec< D > const &replicas) const
	Write r-grid fields in a replicated unit cell to std::ostream.

void	replicateUnitCell (std::string filename, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, IntVec< D > const &replicas) const
	Write r-grid fields in a replicated unit cell to named file.

virtual void	expandRGridDimension (std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, int d, DArray< int > const &newGridDimensions) const
	Expand dimension of an array of r-grid fields, write to ostream.

void	expandRGridDimension (std::string filename, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, int d, DArray< int > newGridDimensions) const
	Expand dimensions of array of r-grid fields, write to file.

void	readFieldHeader (std::istream &in, int &nMonomer, UnitCell< D > &unitCell, bool &isSymmetric) const
	Reader header of field file (fortran pscf format)

void	writeFieldHeader (std::ostream &out, int nMonomer, UnitCell< D > const &unitCell, bool isSymmetric=true) const
	Write header for field file (fortran pscf format)

Additional Inherited Members
Protected Member Functions inherited from Pscf::Prdc::FieldIoReal< D, RField< D >, RFieldDft< D >, FFT< D > >
Mesh< D > const &	mesh () const
	Get spatial discretization mesh by const reference.

FFT< D > const &	fft () const
	Get FFT object by const reference.

UnitCell< D >::LatticeSystem const &	lattice () const
	Get the lattice type enum value by const reference.

bool	hasGroup () const
	Has a space group been declared externally ?

std::string const &	groupName () const
	Get associated group name string by const reference.

SpaceGroup< D > const &	group () const
	Get associated SpaceGroup<D> by const reference.

Basis< D > const &	basis () const
	Get the associated Basis by const reference.

FileMaster const &	fileMaster () const
	Get associated FileMaster by const reference.

Detailed Description

template<int D>
class Pscf::Rpc::FieldIo< D >

File input/output operations and format conversions for fields.

Please refer to the documentation of the base class Prdc::FieldIoReal for more complete API documentation for this class template, for reasons discussed below.

Class template Rpc::FieldIo<int D> is derived from a partial specialization of template Prdc::FieldIoReal<D, RFRT, RFKT, FFFT> that is implemented using classes RFRT=RField<D>, RFKT=RFieldDft<D>, and FFFT=FFT<D> that are all defined in the Prdc::Cpu subspace, and that use only conventional use CPU hardware. Rpc::FieldIo is thus a specialization of the FieldIoReal template for CPU hardware. An analogous class template named named Rpg::FieldIo that is designed to use a GPU is defined in the Pscf::Rpg namespace

The pubiic interface of Rpc::FieldIo is identical to that of the base class template Prdc::FieldIoReal. All member functions defined in this Rpc::FieldIo are reimplemented virtual functions that are declared and documented in Prdc::FieldIoReal, but that have trivial do-nothing implementations in the base class. These are all functions for which different implementations are required for the CPU and GPU variants, and which are thus also reimplemented in Rpg::FieldIo.

Definition at line 22 of file rpc/field/WFieldContainer.h.

Constructor & Destructor Documentation

◆ FieldIo()

template<int D>

Pscf::Rpc::FieldIo< D >::FieldIo ( )

Default constructor.

Definition at line 36 of file rpc/field/FieldIo.tpp.

◆ ~FieldIo()

template<int D>

Pscf::Rpc::FieldIo< D >::~FieldIo ( )

Destructor.

Definition at line 44 of file rpc/field/FieldIo.tpp.

Member Function Documentation

◆ readFieldsRGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::readFieldsRGrid	(	std::istream &	in,
		DArray< RField< D > > &	fields,
		UnitCell< D > &	unitCell ) const

override

Read array of RField objects (r-grid fields) from a stream.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

in	input file stream
fields	array of RField fields (r-space grid)
unitCell	associated crystallographic unit cell

Definition at line 51 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::checkAllocateFields(), Pscf::Prdc::readFieldHeader(), Pscf::Prdc::readMeshDimensions(), and Pscf::Prdc::readRGridData().

Referenced by Pscf::Rpc::System< D >::rGridToBasis(), Pscf::Rpc::System< D >::rGridToKGrid(), Pscf::Rpc::System< D >::scaleFieldsRGrid(), and Pscf::Rpc::EinsteinCrystalPerturbation< D >::setup().

◆ readFieldsRGridData()

template<int D>

void Pscf::Rpc::FieldIo< D >::readFieldsRGridData	(	std::istream &	in,
		DArray< RField< D > > &	fields,
		int	nMonomer ) const

override

Read data for an array of r-grid fields, with no header section.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

in	input file stream
fields	array of RField fields (r-space grid)
nMonomer	number of monomer types

Definition at line 74 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::checkAllocateFields(), and Pscf::Prdc::readRGridData().

Referenced by Pscf::Rpc::RGridTrajectoryReader< D >::readFrame().

◆ readFieldRGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::readFieldRGrid	(	std::istream &	in,
		RField< D > &	field,
		UnitCell< D > &	unitCell ) const

override

Read a single RField (field on an r-space grid) from a stream.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

in	input file stream
field	fields defined on r-space grid
unitCell	associated crystallographic unit cell

Definition at line 89 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::checkAllocateField(), Pscf::Prdc::readFieldHeader(), Pscf::Prdc::readMeshDimensions(), Pscf::Prdc::readRGridData(), and UTIL_CHECK.

◆ writeFieldsRGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::writeFieldsRGrid	(	std::ostream &	out,
		DArray< RField< D > > const &	fields,
		UnitCell< D > const &	unitCell,
		bool	writeHeader = true,
		bool	isSymmetric = true,
		bool	writeMeshSize = true ) const

override

Write array of RField objects (fields on r-space grid) to a stream.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

out	output stream (i.e., output file)
fields	array of RField objects (fields on r-space grid)
unitCell	associated crystallographic unit cell
writeHeader	flag to write file header if true
isSymmetric	Do fields have a space group symmetry ?
writeMeshSize	Should mesh size be written in header?

Definition at line 113 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::inspectFields(), Pscf::Prdc::writeFieldHeader(), Pscf::Prdc::writeMeshDimensions(), and Pscf::Prdc::writeRGridData().

Referenced by Pscf::Rpc::System< D >::basisToRGrid(), Pscf::Rpc::System< D >::kGridToRGrid(), Pscf::Rpc::System< D >::scaleFieldsRGrid(), Pscf::Rpc::ConcentrationWriter< D >::writeFrame(), and Pscf::Rpc::TrajectoryWriter< D >::writeFrame().

◆ writeFieldRGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::writeFieldRGrid	(	std::ostream &	out,
		RField< D > const &	field,
		UnitCell< D > const &	unitCell,
		bool	writeHeader = true,
		bool	isSymmetric = true ) const

override

Write a single RField (field on an r-space grid) to a stream.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

out	output stream
field	field defined on r-space grid
unitCell	associated crystallographic unit cell
writeHeader	Should a file header be written?
isSymmetric	Does the field have a space group symmetry?

Definition at line 144 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::Cpu::RField< D >::meshDimensions(), Pscf::Prdc::writeFieldHeader(), Pscf::Prdc::writeMeshDimensions(), and Pscf::Prdc::writeRGridData().

◆ readFieldsKGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::readFieldsKGrid	(	std::istream &	in,
		DArray< RFieldDft< D > > &	fields,
		UnitCell< D > &	unitCell ) const

override

Read array of RFieldDft objects (k-space fields) from a stream.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

in	input stream (i.e., input file)
fields	array of RFieldDft fields (k-space grid)
unitCell	associated crystallographic unit cell

Definition at line 169 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::checkAllocateFields(), Pscf::Prdc::readFieldHeader(), Pscf::Prdc::readKGridData(), and Pscf::Prdc::readMeshDimensions().

Referenced by Pscf::Rpc::System< D >::kGridToRGrid().

◆ writeFieldsKGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::writeFieldsKGrid	(	std::ostream &	out,
		DArray< RFieldDft< D > > const &	fields,
		UnitCell< D > const &	unitCell,
		bool	isSymmetric = true ) const

override

Write array of RFieldDft objects (k-space fields) to file.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

out	output stream (i.e., output file)
fields	array of RFieldDft fields
unitCell	associated crystallographic unit cell
isSymmetric	Does this field have space group symmetry?

Definition at line 193 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::inspectFields(), Pscf::Prdc::writeFieldHeader(), Pscf::Prdc::writeKGridData(), and Pscf::Prdc::writeMeshDimensions().

Referenced by Pscf::Rpc::System< D >::rGridToKGrid().

◆ convertBasisToKGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::convertBasisToKGrid	(	DArray< double > const &	components,
		RFieldDft< D > &	dft ) const

override

Convert a field from symmetrized basis to Fourier grid (k-grid).

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

components	coefficients of in symmetry-adapted basis
dft	discrete Fourier transform of a real field

Definition at line 219 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::convertBasisToKGrid(), and Pscf::Prdc::Cpu::RFieldDft< D >::dftDimensions().

◆ convertKGridToBasis()

template<int D>

void Pscf::Rpc::FieldIo< D >::convertKGridToBasis	(	RFieldDft< D > const &	in,
		DArray< double > &	out,
		bool	checkSymmetry = true,
		double	epsilon = 1.0e-8 ) const

override

Convert a field from Fourier (k-grid) to symmetrized basis form.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

in	discrete Fourier transform (k-grid) of a field
out	components of field in asymmetry-adapted Fourier basis
checkSymmetry	flag indicating whether to check symmetry
epsilon	error tolerance for symmetry test (if any)

Definition at line 232 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::convertKGridToBasis(), and Pscf::Prdc::Cpu::RFieldDft< D >::dftDimensions().

◆ hasSymmetry()

template<int D>

bool Pscf::Rpc::FieldIo< D >::hasSymmetry	(	RFieldDft< D > const &	in,
		double	epsilon = 1.0e-8,
		bool	verbose = true ) const

override

Check if a k-grid field has the declared space group symmetry.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

in	field in real space grid (r-grid) format
epsilon	error threshold used to test for symmetry
verbose	if true, write error to Log::file()

Returns: true iff the field is symmetric to within tolerance

Definition at line 248 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::Cpu::RFieldDft< D >::dftDimensions(), and Pscf::Prdc::hasSymmetry().

◆ scaleFieldBasis()

template<int D>

void Pscf::Rpc::FieldIo< D >::scaleFieldBasis	(	DArray< double > &	field,
		double	factor ) const

overridevirtual

Rescale a single field in basis format by a scalar factor.

See documentation of analogous function in Prdc::FieldIoReal. Multiplication is done in-place, and so modifies the input.

Parameters

field	field in basis format (in-out)
factor	real scalar by which to multiply all components

Reimplemented from Pscf::Prdc::FieldIoReal< D, RField< D >, RFieldDft< D >, FFT< D > >.

Definition at line 263 of file rpc/field/FieldIo.tpp.

References Util::Array< Data >::capacity().

◆ scaleFieldRGrid()

template<int D>

void Pscf::Rpc::FieldIo< D >::scaleFieldRGrid	(	RField< D > &	field,
		double	factor ) const

override

Rescale a single r-grid field by a scalar factor.

See documentation of analogous function in Prdc::FieldIoReal. Multiplication is done in-place, and so modifies the input.

Parameters

field	real space (r-grid) field (in-out)
factor	real scalar by which to multiply all elements

Definition at line 277 of file rpc/field/FieldIo.tpp.

References Util::Array< Data >::capacity().

◆ expandRGridDimension()

template<int D>

void Pscf::Rpc::FieldIo< D >::expandRGridDimension	(	std::ostream &	out,
		DArray< RField< D > > const &	fields,
		UnitCell< D > const &	unitCell,
		int	d,
		DArray< int > const &	newGridDimensions ) const

override

Expand spatial dimension of an array of r-grid fields.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

out	output file stream
fields	input array of D-dimensional r-grid fields
unitCell	original D-dimensional unit cell
d	expanded spatial dimension (d > D)
newGridDimensions	number of grid points in added dimensions

Definition at line 313 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::expandRGridDimension().

◆ replicateUnitCell()

template<int D>

void Pscf::Rpc::FieldIo< D >::replicateUnitCell	(	std::ostream &	out,
		DArray< RField< D > > const &	fields,
		UnitCell< D > const &	unitCell,
		IntVec< D > const &	replicas ) const

override

Write r-grid fields in a replicated unit cell to std::ostream.

See documentation of analogous function in Prdc::FieldIoReal.

Parameters

out	output file stream
fields	array of RField (r-space) fields to be replicated
unitCell	original crystallographic unit cell
replicas	number of unit cell replicas in each direction

Definition at line 291 of file rpc/field/FieldIo.tpp.

References Pscf::Prdc::inspectFields(), and Pscf::Prdc::replicateUnitCell().

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

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ FieldIo()

◆ ~FieldIo()

Member Function Documentation

◆ readFieldsRGrid()

◆ readFieldsRGridData()

◆ readFieldRGrid()

◆ writeFieldsRGrid()

◆ writeFieldRGrid()

◆ readFieldsKGrid()

◆ writeFieldsKGrid()

◆ convertBasisToKGrid()

◆ convertKGridToBasis()

◆ hasSymmetry()

◆ scaleFieldBasis()

◆ scaleFieldRGrid()

◆ expandRGridDimension()

◆ replicateUnitCell()