Pscf::Rpg::BasisFieldState< D > Class Template Reference

FieldState for fields in symmetry-adapted basis format. More...

#include <BasisFieldState.h>

Inheritance diagram for Pscf::Rpg::BasisFieldState< D >:

Public Member Functions
	BasisFieldState ()
	Default constructor.
	BasisFieldState (System< D > &system)
	Constructor, create association with a parent system.
	~BasisFieldState ()
	Destructor.
void	allocate ()
	Allocate all fields.
void	read (const std::string &filename)
	Read state from file.
void	write (const std::string &filename)
	Write state to file.
void	getSystemState ()
	Copy the current state of the associated system.
void	setSystemState (bool newCellParams)
	Set the state of the associated system to this state.
Public Member Functions inherited from Pscf::Rpg::FieldState< D, DArray< double > >
	FieldState ()
	Default constructor.
	FieldState (System< D > &system)
	Constructor, creates association with a System.
	~FieldState ()
	Destructor.
void	setSystem (System< D > &system)
	Set association with System, after default construction.
const DArray< FT > &	fields () const
	Get array of all fields by const reference.
DArray< FT > &	fields ()
	Get array of all chemical potential fields (non-const reference).
const DArray< double > &	field (int monomerId) const
	Get a field for a single monomer type by const reference.
DArray< double > &	field (int monomerId)
	Get field for a specific monomer type (non-const reference).
const UnitCell< D > &	unitCell () const
	Get UnitCell (i.e., lattice type and parameters) by const reference.
UnitCell< D > &	unitCell ()
	Get the UnitCell by non-const reference.

Additional Inherited Members
Protected Member Functions inherited from Pscf::Rpg::FieldState< D, DArray< double > >
bool	hasSystem ()
	Has a system been set?
System< D > &	system ()
	Get associated System by reference.

Detailed Description

template<int D>
class Pscf::Rpg::BasisFieldState< D >

FieldState for fields in symmetry-adapted basis format.

Definition at line 26 of file rpg/scft/sweep/BasisFieldState.h.

Constructor & Destructor Documentation

BasisFieldState() [1/2]

template<int D>

Pscf::Rpg::BasisFieldState< D >::BasisFieldState

(

)

Default constructor.

Definition at line 28 of file rpg/scft/sweep/BasisFieldState.tpp.

BasisFieldState() [2/2]

template<int D>

Pscf::Rpg::BasisFieldState< D >::BasisFieldState

(

System< D > &

system

)

Constructor, create association with a parent system.

Parameters

system

associated parent system

Definition at line 36 of file rpg/scft/sweep/BasisFieldState.tpp.

~BasisFieldState()

template<int D>

Pscf::Rpg::BasisFieldState< D >::~BasisFieldState

(

)

Destructor.

Definition at line 44 of file rpg/scft/sweep/BasisFieldState.tpp.

Member Function Documentation

allocate()

template<int D>

void Pscf::Rpg::BasisFieldState< D >::allocate

(

)

Allocate all fields.

Precondition: hasSystem() == true

Definition at line 51 of file rpg/scft/sweep/BasisFieldState.tpp.

References UTIL_CHECK.

Referenced by Pscf::Rpg::Sweep< D >::checkAllocation().

read()

template<int D>

void Pscf::Rpg::BasisFieldState< D >::read

(

const std::string &

filename

)

Read state from file.

Read fields in symmetry-adapted basis format.

Parameters

filename

name of input w-field file in symmetry-adapted format.

Definition at line 80 of file rpg/scft/sweep/BasisFieldState.tpp.

Referenced by pscfpp.command.Script::__init__(), pscfpp.field.Field::__init__(), pscfpp.output.Thermo::__init__(), pscfpp.param.Array::__init__(), pscfpp.param.Composite::__init__(), and pscfpp.param.Matrix::__init__().

write()

template<int D>

void Pscf::Rpg::BasisFieldState< D >::write

(

const std::string &

filename

)

Write state to file.

Write fields in symmetry-adapted basis format.

Parameters

filename

name of output file, in symmetry-adapated format.

Definition at line 90 of file rpg/scft/sweep/BasisFieldState.tpp.

getSystemState()

template<int D>

void Pscf::Rpg::BasisFieldState< D >::getSystemState

(

)

Copy the current state of the associated system.

Copy the fields and the unit cell.

Definition at line 99 of file rpg/scft/sweep/BasisFieldState.tpp.

setSystemState()

template<int D>

void Pscf::Rpg::BasisFieldState< D >::setSystemState

(

bool

newCellParams

)

Set the state of the associated system to this state.

Parameters

newCellParams

update system unit cell iff newCellParams == true.

Definition at line 122 of file rpg/scft/sweep/BasisFieldState.tpp.

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

• rpg/scft/sweep/BasisFieldState.h
• rpg/scft/sweep/BasisFieldState.tpp