PSCF: Pscf::Rpc::BasisFieldState< D > Class Template Reference

PSCF v1.2

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

#include <BasisFieldState.h>

Inheritance diagram for Pscf::Rpc::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 isFlexible)
	Set the state of the associated system to this state.

Public Member Functions inherited from Pscf::Rpc::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::Rpc::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::Rpc::BasisFieldState< D >

FieldState for fields in symmetry-adapted basis format.

Definition at line 24 of file rpc/scft/sweep/BasisFieldState.h.

Constructor & Destructor Documentation

◆ BasisFieldState() [1/2]

template<int D>

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

Default constructor.

Definition at line 25 of file rpc/scft/sweep/BasisFieldState.tpp.

◆ BasisFieldState() [2/2]

template<int D>

Pscf::Rpc::BasisFieldState< D >::BasisFieldState ( System< D > & system )

Constructor, create association with a parent system.

Parameters

system associated parent system

Definition at line 33 of file rpc/scft/sweep/BasisFieldState.tpp.

◆ ~BasisFieldState()

template<int D>

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

Destructor.

Definition at line 41 of file rpc/scft/sweep/BasisFieldState.tpp.

Member Function Documentation

◆ allocate()

template<int D>

void Pscf::Rpc::BasisFieldState< D >::allocate ( )

Allocate all fields.

Precondition: hasSystem() == true

Definition at line 48 of file rpc/scft/sweep/BasisFieldState.tpp.

References UTIL_CHECK.

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

◆ read()

template<int D>

void Pscf::Rpc::BasisFieldState< D >::read ( const std::string & filename )

Read state from file.

Parameters

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

Definition at line 77 of file rpc/scft/sweep/BasisFieldState.tpp.

References Pscf::Prdc::FieldIoReal< D, RFRT, RFKT, FFTT >::readFieldsBasis().

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::Rpc::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 rpc/scft/sweep/BasisFieldState.tpp.

References Pscf::Prdc::FieldIoReal< D, RFRT, RFKT, FFTT >::writeFieldsBasis().

◆ getSystemState()

template<int D>

void Pscf::Rpc::BasisFieldState< D >::getSystemState ( )

Copy the current state of the associated system.

Copy the fields and the unit cell.

Definition at line 100 of file rpc/scft/sweep/BasisFieldState.tpp.

◆ setSystemState()

template<int D>

void Pscf::Rpc::BasisFieldState< D >::setSystemState ( bool isFlexible )

Set the state of the associated system to this state.

Parameters

isFlexible update system unit cell iff isFlexible == true.

Definition at line 123 of file rpc/scft/sweep/BasisFieldState.tpp.

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