Anderson-Mixing iterator. More...

#include <AmIterator.h>

Inheritance diagram for Pscf::R1d::AmIterator:

Public Member Functions
	AmIterator (System &system)
	Constructor.

	~AmIterator ()
	Destructor.

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

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

	~AmIteratorTmpl ()
	Destructor.

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

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

void	outputTimers (std::ostream &out)
	Log output timing results.

void	clearTimers ()
	Clear timers.

std::string	errorType () const
	Obtain error type.

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

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

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

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

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

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

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

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

virtual void	clear ()
	Clear information about history.

virtual double	computeError (DArray< double > &residTrial, DArray< double > &fieldTrial, std::string errorType, int verbose)
	Compute and return error used to test for convergence.

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

virtual double	computeLambda (double r)
	Compute mixing parameter for correction step of Anderson mixing.

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

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

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

int	totalItr ()
	Return the total number of iterations needed to converge.

double	timerTotal ()
	Get total time.

double	timerMDE ()
	Get time solving modified diffusion equation (MDE).

double	timerAM ()
	Get total time for AM algorithm, excluding MDE solution.

double	timerResid ()
	Get time computing residual.

double	timerError ()
	Get time evaluating scalar error.

double	timerCoeff ()
	Get time evaluating Anderson mixing coefficients.

double	timerOmega ()
	Get time updating w fields.

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

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

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

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

Detailed Description

Anderson-Mixing iterator.

Definition at line 29 of file AmIterator.h.

Constructor & Destructor Documentation

◆ AmIterator()

Pscf::R1d::AmIterator::AmIterator ( System & system )

Constructor.

Parameters

system System object associated with this iterator.

Definition at line 20 of file AmIterator.cpp.

◆ ~AmIterator()

Pscf::R1d::AmIterator::~AmIterator ( )

Destructor.

Definition at line 26 of file AmIterator.cpp.

Member Function Documentation

◆ readParameters()

void Pscf::R1d::AmIterator::readParameters ( std::istream & in )

Read all parameters and initialize.

Parameters

in	input filestream

Definition at line 30 of file AmIterator.cpp.

References Pscf::AmIteratorTmpl< Iterator, DArray< double > >::readErrorType(), readParameters(), and Pscf::AmbdInteraction::setNMonomer().

Referenced by readParameters().

◆ setup()

void Pscf::R1d::AmIterator::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, DArray< double > >.

Definition at line 41 of file AmIterator.cpp.

References setup(), and Pscf::AmbdInteraction::update().

Referenced by setup().

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

◆ AmIterator()

◆ ~AmIterator()

Member Function Documentation

◆ readParameters()

◆ setup()