Anderson Mixing compressor with linear-response mixing step. More...

#include <LrAmCompressor.h>

Inheritance diagram for Pscf::Rpc::LrAmCompressor< D >:

Public Member Functions
	LrAmCompressor (System< D > &system)
	Constructor.
	~LrAmCompressor ()
	Destructor.
void	readParameters (std::istream &in) override
	Read all parameters and initialize.
void	setup (bool isContinuation) override
	Initialize just before entry to iterative loop.
int	compress () override
	Compress to obtain partial saddle point w+.
void	outputTimers (std::ostream &out) const override
	Return compressor times contributions.
void	clearTimers () override
	Clear all timers (reset accumulated time to zero).
Public Member Functions inherited from Pscf::AmIteratorDArray< Compressor< D > >
	AmIteratorDArray ()=default
	Constructor.
	~AmIteratorDArray ()=default
	Destructor.
Public Member Functions inherited from Pscf::AmIteratorTmpl< Compressor< D >, 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.

Additional Inherited Members
Public Types inherited from Pscf::AmIteratorDArray< Compressor< D > >
using	AmTmpl
	Alias for base class template.
Protected Member Functions inherited from Pscf::AmIteratorTmpl< Compressor< D >, 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.
Protected Attributes inherited from Pscf::AmIteratorTmpl< Compressor< D >, 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

template<int D>
class Pscf::Rpc::LrAmCompressor< D >

Anderson Mixing compressor with linear-response mixing step.

Class LrAmCompressor implements an Anderson mixing algorithm which modifies the second mixing step, estimating Jacobian by linear response of homogenous liquid instead of unity. The residual is a vector in which each that represents a deviations in the sum of volume fractions from unity.

Definition at line 42 of file rpc/fts/compressor/LrAmCompressor.h.

Constructor & Destructor Documentation

◆ LrAmCompressor()

template<int D>

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

Constructor.

Parameters

system parent System<D> object

Definition at line 29 of file rpc/fts/compressor/LrAmCompressor.tpp.

References Util::ParamComposite::setClassName().

◆ ~LrAmCompressor()

template<int D>

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

Destructor.

Definition at line 40 of file rpc/fts/compressor/LrAmCompressor.tpp.

Member Function Documentation

◆ readParameters()

template<int D>

void Pscf::Rpc::LrAmCompressor< D >::readParameters ( std::istream & in )

overridevirtual

Read all parameters and initialize.

Parameters

in	input filestream

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

Definition at line 47 of file rpc/fts/compressor/LrAmCompressor.tpp.

References Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::errorType_, Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::maxItr_, Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::readErrorType(), Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::readParameters(), and Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::verbose_.

◆ setup()

template<int D>

void Pscf::Rpc::LrAmCompressor< D >::setup ( bool isContinuation )

overridevirtual

Initialize just before entry to iterative loop.

This function is called by the solve function before entering the loop over iterations. Store the current values of the fields at the beginning of iteration

Parameters

isContinuation true iff continuation within a sweep

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

Definition at line 64 of file rpc/fts/compressor/LrAmCompressor.tpp.

References setup().

Referenced by setup().