Pscf::R1d::AmIterator Class Reference

Anderson-Mixing iterator for 1D SCFT. More...

#include <AmIterator.h>

Inheritance diagram for Pscf::R1d::AmIterator:

Public Member Functions
	AmIterator (System &system)
	Constructor.
	~AmIterator ()
	Destructor.
void	readParameters (std::istream &in) override
	Read all parameters and initialize.
Public Member Functions inherited from Pscf::AmIteratorDArray< Iterator >
	AmIteratorDArray ()=default
	Constructor.
	~AmIteratorDArray ()=default
	Destructor.
Public Member Functions inherited from Pscf::AmIteratorTmpl< Iterator, DArray< double > >
	AmIteratorTmpl ()
	Constructor.
	~AmIteratorTmpl ()
	Destructor.
int	solve (bool isContinuation=false)
	Iterate to a solution.
void	outputTimers (std::ostream &out) const
	Log output timing results.
void	clearTimers ()
	Clear timers.

Protected Member Functions
void	setup (bool isContinuation) override
	Setup iterator just before entering iteration loop.
Protected Member Functions inherited from Pscf::AmIteratorTmpl< Iterator, DArray< double > >
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.
void	readMixingParameters (std::istream &in, bool useLambdaRamp=true)
	Read optional parameters used in default correction algorithm.
void	allocateAM ()
	Allocate memory required by AM algorithm, if necessary.
bool	isAllocatedAM () const
	Have data structures required by the AM algorithm been allocated?
virtual void	clear ()
	Clear information about history.
virtual double	computeError (DArray< double > &residTrial, DArray< double > &stateTrial, 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.
double	lambdaRampFactor ()
	Compute ramped prefactor of mixing parameter lambda.
virtual double	computeLambda ()
	Compute mixing parameter for correction step of Anderson mixing.
int	verbose () const
	Verbosity level, allowed values 0, 1, or 2.
std::string	errorType () const
	Get error type string.
DArray< double > const &	residual () const
	Get the current residual vector by const reference.
DArray< double > const &	state () const
	Return the current state vector by const reference.
int	totalItr ()
	Return the total number of iterations needed to converge.
double	timerTotal ()
	Get total time.
double	timerMDE ()
	Get time spent solving the modified diffusion equation (MDE).
double	timerAM ()
	Get total time for AM algorithm, excluding MDE solution.
double	timerResid ()
	Get time spent computing residual.
double	timerError ()
	Get time evaluating scalar error.
double	timerCoeff ()
	Get time spent evaluating Anderson mixing coefficients.
double	timerOmega ()
	Get time spent updating w states.

Additional Inherited Members
Public Types inherited from Pscf::AmIteratorDArray< Iterator >
using	AmTmpl = AmIteratorTmpl<Iterator, DArray<double> >
	Alias for base class template.
Protected Attributes inherited from Pscf::AmIteratorTmpl< Iterator, DArray< double > >
double	epsilon_
	Error tolerance.
int	maxItr_
	Maximum number of iterations to attempt.
int	maxHist_
	Maximum number of basis vectors in AM algorithm.
int	verbose_
	Verbosity level.
std::string	errorType_
	Type of error criterion used to test convergence.

Detailed Description

Anderson-Mixing iterator for 1D SCFT.

See also

Manual Page

AM Iterator Algorithm

Definition at line 31 of file AmIterator.h.

Constructor & Destructor Documentation

AmIterator()

Pscf::R1d::AmIterator::AmIterator

(

System &

system

)

Constructor.

Parameters

system

parent System

Definition at line 27 of file AmIterator.cpp.

References Util::ParamComposite::setClassName().

~AmIterator()

Pscf::R1d::AmIterator::~AmIterator

(

)

Destructor.

Definition at line 35 of file AmIterator.cpp.

Member Function Documentation

readParameters()

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

overridevirtual

Read all parameters and initialize.

Parameters

in	input filestream

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

Definition at line 41 of file AmIterator.cpp.

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

setup()

void Pscf::R1d::AmIterator::setup ( bool isContinuation )

overrideprotectedvirtual

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 57 of file AmIterator.cpp.

References Pscf::AmIteratorTmpl< Iterator, DArray< double > >::AmIteratorTmpl(), and setup().

Referenced by setup().

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

• AmIterator.h
• AmIterator.cpp