Pspg implementation of the Anderson Mixing iterator. More...

#include <AmIteratorBasis.h>

Inheritance diagram for Pscf::Pspg::AmIteratorBasis< D >:

Public Member Functions
	AmIteratorBasis (System< D > &system)
	Constructor. More...

	~AmIteratorBasis ()
	Destructor. More...

void	readParameters (std::istream &in)
	Read all parameters and initialize. More...

Public Member Functions inherited from Pscf::AmIteratorTmpl< Iterator< D >, DArray< double > >
	AmIteratorTmpl ()
	Constructor. More...

	~AmIteratorTmpl ()
	Destructor. More...

void	readParameters (std::istream &in)
	Read all parameters and initialize. More...

int	solve (bool isContinuation=false)
	Iterate to a solution. More...

Protected Member Functions
void	setup (bool isContinuation)
	Setup iterator just before entering iteration loop. More...

template<typename Type >
ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object. More...

Protected Member Functions inherited from Pscf::AmIteratorTmpl< Iterator< D >, DArray< double > >
void	setMaxItr (int maxItr)
	Set value of maxItr. More...

void	setMaxHist (int maxHist)
	Set value of maxHist (number of retained previous states) More...

void	setErrorType (std::string errorType)
	Set and validate value of errorType string. More...

void	readErrorType (std::istream &in)
	Read and validate the optional errorType string parameter. More...

virtual bool	isValidErrorType ()
	Checks if a string is a valid error type. More...

virtual double	norm (DArray< double > const &hist)
	Find the L2 norm of a vector. More...

void	allocateAM ()
	Allocate memory required by AM algorithm, if necessary. More...

virtual void	clear ()
	Clear information about history. More...

virtual void	setup (bool isContinuation)
	Initialize just before entry to iterative loop. More...

virtual double	computeError (int verbose)
	Compute and return error used to test for convergence. More...

DArray< double > const &	residual () const
	Return the current residual vector by const reference. More...

DArray< double > const &	field () const
	Return the current field or state vector by const reference. More...

int	verbose () const
	Verbosity level, allowed values 0, 1, or 2. More...

bool	isAllocatedAM () const
	Have data structures required by the AM algorithm been allocated? More...

ScalarParam< Type > &	read (std::istream &in, const char *label, Type &value)
	Add and read a new required ScalarParam < Type > object. More...

ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object. More...

Additional Inherited Members
Protected Attributes inherited from Pscf::AmIteratorTmpl< Iterator< D >, DArray< double > >
std::string	errorType_
	Type of error criterion used to test convergence. More...

Detailed Description

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

Pspg implementation of the Anderson Mixing iterator.

Definition at line 30 of file AmIteratorBasis.h.

Constructor & Destructor Documentation

◆ AmIteratorBasis()

template<int D>

Pscf::Pspg::AmIteratorBasis< D >::AmIteratorBasis ( System< D > & system )

Constructor.

Parameters

system parent system object

Definition at line 25 of file AmIteratorBasis.tpp.

◆ ~AmIteratorBasis()

template<int D>

Pscf::Pspg::AmIteratorBasis< D >::~AmIteratorBasis

Destructor.

Definition at line 31 of file AmIteratorBasis.tpp.

Member Function Documentation

◆ readParameters()

template<int D>

void Pscf::Pspg::AmIteratorBasis< D >::readParameters ( std::istream & in )

Read all parameters and initialize.

Parameters

in	input filestream

Definition at line 36 of file AmIteratorBasis.tpp.

◆ setup()

template<int D>

void Pscf::Pspg::AmIteratorBasis< D >::setup ( bool isContinuation )

protectedvirtual

Setup iterator just before entering iteration loop.

Parameters

isContinuation Is this a continuation within a sweep?

Reimplemented from Pscf::AmIteratorTmpl< Iterator< D >, DArray< double > >.

Definition at line 58 of file AmIteratorBasis.tpp.

◆ readOptional()

template<int D>

template<typename Type >

ScalarParam< Type > & Util::ParamComposite::readOptional	(	std::istream &	in,
		const char *	label,
		Type &	value
	)

inlineprotected

Add and read a new optional ScalarParam < Type > object.

This is equivalent to ScalarParam<Type>(in, label, value, false).

Parameters

in	input stream for reading
label	Label string
value	reference to new ScalarParam< Type >

Definition at line 319 of file ParamComposite.h.

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

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ AmIteratorBasis()

◆ ~AmIteratorBasis()

Member Function Documentation

◆ readParameters()

◆ setup()

◆ readOptional()