File input/output operations for fields in several file formats. More...

#include <FieldIo.h>

Public Member Functions
	FieldIo ()
	Constructor. More...

	~FieldIo ()
	Destructor. More...

void	associate (Mesh< D > const &mesh, FFT< D > const &fft, typename UnitCell< D >::LatticeSystem &lattice, std::string &groupName, SpaceGroup< D > &group, Basis< D > &basis, FileMaster const &fileMaster)
	Get and store addresses of associated objects. More...

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

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

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

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

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

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

void	writeFieldsRGrid (std::ostream &out, DArray< RDField< D > > const &fields, UnitCell< D > const &unitCell) const
	Write array of RField objects (fields on an r-space grid) to file. More...

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

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

void	readFieldRGrid (std::string filename, RDField< D > &field, UnitCell< D > &unitCell) const
	Read a single RField objects (field on an r-space grid). More...

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

void	writeFieldRGrid (std::string filename, RDField< D > const &field, UnitCell< D > const &unitCell) const
	Write a single RField objects (field on an r-space grid) to file. More...

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

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

void	writeFieldsKGrid (std::ostream &out, DArray< RDFieldDft< D > > const &fields, UnitCell< D > const &unitCell) const
	Write array of RDFieldDft objects (k-space fields) to file. More...

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

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

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

Field Format Conversion
void	convertBasisToKGrid (DArray< double > const &components, RDFieldDft< D > &dft) const
	Convert field from symmetrized basis to Fourier transform (k-grid). More...

void	convertBasisToKGrid (DArray< DArray< double > > const &in, DArray< RDFieldDft< D > > &out) const
	Convert fields from symmetrized basis to Fourier transform (kgrid). More...

void	convertKGridToBasis (RDFieldDft< D > const &dft, DArray< double > &components) const
	Convert field from Fourier transform (k-grid) to symmetrized basis. More...

void	convertKGridToBasis (DArray< RDFieldDft< D > > const &in, DArray< DArray< double > > &out) const
	Convert fields from Fourier transform (kgrid) to symmetrized basis. More...

void	convertBasisToRGrid (DArray< DArray< double > > const &in, DArray< RDField< D > > &out) const
	Convert fields from symmetrized basis to spatial grid (rgrid). More...

void	convertRGridToBasis (DArray< RDField< D > > const &in, DArray< DArray< double > > &out) const
	Convert fields from spatial grid (rgrid) to symmetrized basis. More...

void	convertKGridToRGrid (DArray< RDFieldDft< D > > const &in, DArray< RDField< D > > &out) const
	Convert fields from k-grid (DFT) to real space (rgrid) format. More...

void	convertRGridToKGrid (DArray< RDField< D > > const &in, DArray< RDFieldDft< D > > &out) const
	Convert fields from spatial grid (rgrid) to k-grid format. More...

Detailed Description

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

File input/output operations for fields in several file formats.

Definition at line 36 of file pspg/field/FieldIo.h.

Constructor & Destructor Documentation

◆ FieldIo()

template<int D>

Pscf::Pspg::FieldIo< D >::FieldIo

Constructor.

Definition at line 37 of file pspg/field/FieldIo.tpp.

◆ ~FieldIo()

template<int D>

Pscf::Pspg::FieldIo< D >::~FieldIo

Destructor.

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

Member Function Documentation

◆ associate()

template<int D>

void Pscf::Pspg::FieldIo< D >::associate	(	Mesh< D > const &	mesh,
		FFT< D > const &	fft,
		typename UnitCell< D >::LatticeSystem &	lattice,
		std::string &	groupName,
		SpaceGroup< D > &	group,
		Basis< D > &	basis,
		FileMaster const &	fileMaster
	)

Get and store addresses of associated objects.

Parameters

mesh	associated spatial discretization Mesh<D>
fft	associated FFT object for fast transforms
lattice	lattice system type (enumeration value)
groupName	space group name string
group	associated space group
basis	associated Basis object
fileMaster	associated FileMaster (for file paths)

Definition at line 58 of file pspg/field/FieldIo.tpp.

◆ readFieldsBasis() [1/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::readFieldsBasis	(	std::istream &	in,
		DArray< DArray< double > > &	fields,
		UnitCell< D > &	unitCell
	)		const

Read concentration or chemical potential field components from file.

This function reads components in a symmetry adapted basis from file in.

The capacity of DArray fields is equal to nMonomer, and element fields[i] is a DArray containing components of the field associated with monomer type i.

Parameters

in	input stream (i.e., input file)
fields	array of fields (symmetry adapted basis components)
unitCell	crystallographic unit cell (output)

Definition at line 76 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), Pscf::Basis< D >::Star::basisId, Pscf::Basis< D >::Star::beginId, Pscf::Basis< D >::Star::cancel, Util::Log::file(), Pscf::Basis< D >::Star::invertFlag, Pscf::Vec< D, T >::negate(), Pscf::Pspg::FieldIo< D >::readFieldHeader(), UTIL_CHECK, UTIL_THROW, and Pscf::Basis< D >::Star::waveBz.

◆ readFieldsBasis() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::readFieldsBasis	(	std::string	filename,
		DArray< DArray< double > > &	fields,
		UnitCell< D > &	unitCell
	)		const

Read concentration or chemical potential field components from file.

This function opens an input file with the specified filename, reads components in symmetry-adapted form from that file, and closes the file.

Parameters

filename	name of input file
fields	array of fields (symmetry adapted basis components)
unitCell	crystallographic unit cell (output)

Definition at line 330 of file pspg/field/FieldIo.tpp.

◆ writeFieldsBasis() [1/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldsBasis	(	std::ostream &	out,
		DArray< DArray< double > > const &	fields,
		UnitCell< D > const &	unitCell
	)		const

Write concentration or chemical potential field components to file.

This function writes components in a symmetry adapted basis.

Parameters

out	output stream (i.e., output file)
fields	array of fields (symmetry adapted basis components)
unitCell	crystallographic unit cell

Definition at line 343 of file pspg/field/FieldIo.tpp.

References UTIL_CHECK.

◆ writeFieldsBasis() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldsBasis	(	std::string	filename,
		DArray< DArray< double > > const &	fields,
		UnitCell< D > const &	unitCell
	)		const

Write concentration or chemical potential field components to file.

This function opens an output file with the specified filename, writes components in symmetry-adapted form to that file, and then closes the file.

Parameters

filename	name of input file
fields	array of fields (symmetry adapted basis components)
unitCell	crystallographic unit cell

Definition at line 383 of file pspg/field/FieldIo.tpp.

◆ readFieldsRGrid() [1/2]

template<int D>

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

Read array of RField objects (fields on an r-space grid) from file.

The capacity of array fields is equal to nMonomer, and element fields[i] is the RField<D> associated with monomer type i.

Parameters

in	input stream (i.e., input file)
fields	array of RField fields (r-space grid)
unitCell	crystallographic unit cell (output)

Definition at line 395 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), Pscf::Pspg::FieldIo< D >::readFieldHeader(), UTIL_CHECK, and UTIL_THROW.

◆ readFieldsRGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::readFieldsRGrid	(	std::string	filename,
		DArray< RDField< D > > &	fields,
		UnitCell< D > &	unitCell
	)		const

Read array of RField objects (fields on an r-space grid) from file.

The capacity of array fields is equal to nMonomer, and element fields[i] is the RField<D> associated with monomer type i.

This function opens an input file with the specified filename, reads fields in RField<D> real-space grid format from that file, and then closes the file.

Parameters

filename	name of input file
fields	array of RField fields (r-space grid)
unitCell	crystallographic unit cell (output)

Definition at line 470 of file pspg/field/FieldIo.tpp.

◆ writeFieldsRGrid() [1/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldsRGrid	(	std::ostream &	out,
		DArray< RDField< D > > const &	fields,
		UnitCell< D > const &	unitCell
	)		const

Write array of RField objects (fields on an r-space grid) to file.

Parameters

out	output stream (i.e., output file)
fields	array of RField fields (r-space grid)
unitCell	crystallographic unit cell

Definition at line 481 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), and UTIL_CHECK.

◆ writeFieldsRGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldsRGrid	(	std::string	filename,
		DArray< RDField< D > > const &	fields,
		UnitCell< D > const &	unitCell
	)		const

Write array of RField objects (fields on an r-space grid) to file.

This function opens an output file with the specified filename, writes fields in RField<D> real-space grid format to that file, and then closes the file.

Parameters

filename	name of output file
fields	array of RField fields (r-space grid)
unitCell	crystallographic unit cell

Definition at line 543 of file pspg/field/FieldIo.tpp.

◆ readFieldRGrid() [1/2]

template<int D>

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

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

Parameters

in	input stream
field	RField field (r-space grid)
unitCell	crystallographic unit cell

Definition at line 555 of file pspg/field/FieldIo.tpp.

References Pscf::Pspg::DField< Data >::cDField(), Pscf::Pspg::FieldIo< D >::readFieldHeader(), UTIL_CHECK, and UTIL_THROW.

◆ readFieldRGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::readFieldRGrid	(	std::string	filename,
		RDField< D > &	field,
		UnitCell< D > &	unitCell
	)		const

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

Parameters

filename	name of input file
field	RField field (r-space grid)
unitCell	crystallographic unit cell

Definition at line 620 of file pspg/field/FieldIo.tpp.

◆ writeFieldRGrid() [1/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldRGrid	(	std::ostream &	out,
		RDField< D > const &	field,
		UnitCell< D > const &	unitCell,
		bool	writeHeader = `true`
	)		const

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

Parameters

out	output stream
field	RField field (r-space grid)
unitCell	crystallographic unit cell
writeHeader	should a file header be written?

Definition at line 632 of file pspg/field/FieldIo.tpp.

References Pscf::Pspg::DField< Data >::cDField().

◆ writeFieldRGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldRGrid	(	std::string	filename,
		RDField< D > const &	field,
		UnitCell< D > const &	unitCell
	)		const

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

Parameters

filename	name of input file
field	RField field (r-space grid)
unitCell	crystallographic unit cell

Definition at line 686 of file pspg/field/FieldIo.tpp.

◆ readFieldsKGrid() [1/2]

template<int D>

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

Read array of RDFieldDft objects (k-space fields) from file.

The capacity of the array is equal to nMonomer, and element fields[i] is the discrete Fourier transform of the field for monomer type i.

Parameters

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

Definition at line 698 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), UTIL_CHECK, and UTIL_THROW.

◆ readFieldsKGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::readFieldsKGrid	(	std::string	filename,
		DArray< RDFieldDft< D > > &	fields,
		UnitCell< D > &	unitCell
	)		const

Read array of RDFieldDft objects (k-space fields) from file.

This function opens a file with name filename, reads discrete Fourier components (Dft) of fields from that file, and closes the file.

The capacity of the array is equal to nMonomer, and element fields[i] is the discrete Fourier transform of the field for monomer type i.

Parameters

filename	name of input file
fields	array of RDFieldDft fields (k-space grid)
unitCell	crystallographic unit cell (output)

Definition at line 760 of file pspg/field/FieldIo.tpp.

◆ writeFieldsKGrid() [1/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldsKGrid	(	std::ostream &	out,
		DArray< RDFieldDft< D > > const &	fields,
		UnitCell< D > const &	unitCell
	)		const

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

The capacity of the array fields is equal to nMonomer. Element fields[i] is the discrete Fourier transform of the field for monomer type i.

Parameters

out	output stream (i.e., output file)
fields	array of RDFieldDft fields
unitCell	crystallographic unit cell

Definition at line 772 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), and UTIL_CHECK.

◆ writeFieldsKGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldsKGrid	(	std::string	filename,
		DArray< RDFieldDft< D > > const &	fields,
		UnitCell< D > const &	unitCell
	)		const

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

This function opens a file with name filename, writes discrete Fourier transform components (DFT) components of fields to that file, and closes the file.

Parameters

filename	name of output file.
fields	array of RDFieldDft fields (k-space grid)
unitCell	crystallographic unit cell

Definition at line 820 of file pspg/field/FieldIo.tpp.

◆ readFieldHeader()

template<int D>

void Pscf::Pspg::FieldIo< D >::readFieldHeader	(	std::istream &	in,
		int &	nMonomer,
		UnitCell< D > &	unitCell
	)		const

Reader header of field file (fortran pscf format)

Parameters

in	input stream (i.e., input file)
nMonomer	number of monomers read from file (output)
unitCell	crystallographic unit cell (output)

Definition at line 873 of file pspg/field/FieldIo.tpp.

References Util::Log::file(), Pscf::UnitCellBase< D >::isInitialized(), Pscf::UnitCellBase< D >::nParameter(), UTIL_CHECK, and UTIL_THROW.

Referenced by Pscf::Pspg::FieldIo< D >::readFieldRGrid(), Pscf::Pspg::FieldIo< D >::readFieldsBasis(), and Pscf::Pspg::FieldIo< D >::readFieldsRGrid().

◆ writeFieldHeader()

template<int D>

void Pscf::Pspg::FieldIo< D >::writeFieldHeader	(	std::ostream &	out,
		int	nMonomer,
		UnitCell< D > const &	unitCell
	)		const

Write header for field file (fortran pscf format)

Parameters

out	output stream (i.e., output file)
nMonomer	number of monomer types
unitCell	crystallographic unit cell

Definition at line 953 of file pspg/field/FieldIo.tpp.

References Pscf::writeUnitCellHeader().

◆ convertBasisToKGrid() [1/2]

template<int D>

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

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

Parameters

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

Definition at line 969 of file pspg/field/FieldIo.tpp.

References Pscf::Basis< D >::Star::basisId, Pscf::Basis< D >::Star::beginId, Pscf::Basis< D >::Star::cancel, Pscf::Pspg::DField< Data >::capacity(), Pscf::Pspg::DField< Data >::cDField(), Pscf::Basis< D >::Wave::coeff, Pscf::Pspg::RDFieldDft< D >::dftDimensions(), Pscf::Basis< D >::Wave::implicit, Pscf::Basis< D >::Wave::indicesDft, Pscf::Basis< D >::Star::invertFlag, Pscf::Pspg::RDFieldDft< D >::meshDimensions(), Pscf::Mesh< D >::rank(), Pscf::Mesh< D >::size(), UTIL_ASSERT, UTIL_CHECK, and UTIL_THROW.

◆ convertBasisToKGrid() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::convertBasisToKGrid	(	DArray< DArray< double > > const &	in,
		DArray< RDFieldDft< D > > &	out
	)		const

Convert fields from symmetrized basis to Fourier transform (kgrid).

The in and out parameters are arrays of fields, in which element number i is the field associated with monomer type i.

Parameters

in	components of fields in symmetry adapted basis
out	fields defined as discrete Fourier transforms (k-grid)

Definition at line 1298 of file pspg/field/FieldIo.tpp.

References UTIL_CHECK.

◆ convertKGridToBasis() [1/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::convertKGridToBasis	(	RDFieldDft< D > const &	dft,
		DArray< double > &	components
	)		const

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

Parameters

dft	complex DFT (k-grid) representation of a field.
components	coefficients of symmetry-adapted basis functions.

Definition at line 1114 of file pspg/field/FieldIo.tpp.

References Pscf::Basis< D >::Star::basisId, Pscf::Basis< D >::Star::beginId, Pscf::Basis< D >::Star::cancel, Pscf::Pspg::DField< Data >::cDField(), Pscf::Basis< D >::Wave::coeff, Pscf::Pspg::RDFieldDft< D >::dftDimensions(), Pscf::Basis< D >::Star::endId, Util::Log::file(), Pscf::Basis< D >::Wave::implicit, Pscf::Basis< D >::Wave::indicesDft, Pscf::Basis< D >::Star::invertFlag, Pscf::Mesh< D >::rank(), Pscf::Basis< D >::Wave::starId, Pscf::Basis< D >::Star::starId, UTIL_CHECK, UTIL_THROW, and Pscf::Basis< D >::Star::waveBz.

◆ convertKGridToBasis() [2/2]

template<int D>

void Pscf::Pspg::FieldIo< D >::convertKGridToBasis	(	DArray< RDFieldDft< D > > const &	in,
		DArray< DArray< double > > &	out
	)		const

Convert fields from Fourier transform (kgrid) to symmetrized basis.

The in and out parameters are each an array of fields, in which element i is the field associated with monomer type i.

Parameters

in	fields defined as discrete Fourier transforms (k-grid)
out	components of fields in symmetry adapted basis

Definition at line 1312 of file pspg/field/FieldIo.tpp.

References UTIL_ASSERT.

◆ convertBasisToRGrid()

template<int D>

void Pscf::Pspg::FieldIo< D >::convertBasisToRGrid	(	DArray< DArray< double > > const &	in,
		DArray< RDField< D > > &	out
	)		const

Convert fields from symmetrized basis to spatial grid (rgrid).

Parameters

in	fields in symmetry adapted basis form
out	fields defined on real-space grid

Definition at line 1328 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), Util::DArray< Data >::deallocate(), and UTIL_CHECK.

◆ convertRGridToBasis()

template<int D>

void Pscf::Pspg::FieldIo< D >::convertRGridToBasis	(	DArray< RDField< D > > const &	in,
		DArray< DArray< double > > &	out
	)		const

Convert fields from spatial grid (rgrid) to symmetrized basis.

Parameters

in	fields defined on real-space grid
out	fields in symmetry adapted basis form

Definition at line 1350 of file pspg/field/FieldIo.tpp.

References Util::DArray< Data >::allocate(), Util::DArray< Data >::deallocate(), and UTIL_CHECK.

◆ convertKGridToRGrid()

template<int D>

void Pscf::Pspg::FieldIo< D >::convertKGridToRGrid	(	DArray< RDFieldDft< D > > const &	in,
		DArray< RDField< D > > &	out
	)		const

Convert fields from k-grid (DFT) to real space (rgrid) format.

Parameters

in	fields in discrete Fourier format (k-grid)
out	fields defined on real-space grid (r-grid)

Definition at line 1379 of file pspg/field/FieldIo.tpp.

References UTIL_ASSERT.

◆ convertRGridToKGrid()

template<int D>

void Pscf::Pspg::FieldIo< D >::convertRGridToKGrid	(	DArray< RDField< D > > const &	in,
		DArray< RDFieldDft< D > > &	out
	)		const

Convert fields from spatial grid (rgrid) to k-grid format.

Parameters

in	fields defined on real-space grid (r-grid)
out	fields in discrete Fourier format (k-grid)

Definition at line 1391 of file pspg/field/FieldIo.tpp.

References UTIL_ASSERT.

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

Public Member Functions

Field Format Conversion

Detailed Description

Constructor & Destructor Documentation

◆ FieldIo()

◆ ~FieldIo()

Member Function Documentation

◆ associate()

◆ readFieldsBasis() [1/2]

◆ readFieldsBasis() [2/2]

◆ writeFieldsBasis() [1/2]

◆ writeFieldsBasis() [2/2]

◆ readFieldsRGrid() [1/2]

◆ readFieldsRGrid() [2/2]

◆ writeFieldsRGrid() [1/2]

◆ writeFieldsRGrid() [2/2]

◆ readFieldRGrid() [1/2]

◆ readFieldRGrid() [2/2]

◆ writeFieldRGrid() [1/2]

◆ writeFieldRGrid() [2/2]

◆ readFieldsKGrid() [1/2]

◆ readFieldsKGrid() [2/2]

◆ writeFieldsKGrid() [1/2]

◆ writeFieldsKGrid() [2/2]

◆ readFieldHeader()

◆ writeFieldHeader()

◆ convertBasisToKGrid() [1/2]

◆ convertBasisToKGrid() [2/2]

◆ convertKGridToBasis() [1/2]

◆ convertKGridToBasis() [2/2]

◆ convertBasisToRGrid()

◆ convertRGridToBasis()

◆ convertKGridToRGrid()

◆ convertRGridToKGrid()