PSCF v1.3.2
Pscf::Rpc::LrAmCompressor< D > Class Template Reference

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

#include <LrAmCompressor.h>

Inheritance diagram for Pscf::Rpc::LrAmCompressor< D >:
Pscf::AmIteratorDArray< Compressor< D > > Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >

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
systemparent System<D> object

Definition at line 27 of file rpc/fts/compressor/LrAmCompressor.tpp.

References Util::ParamComposite::setClassName().

◆ ~LrAmCompressor()

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

Destructor.

Definition at line 38 of file rpc/fts/compressor/LrAmCompressor.tpp.

Member Function Documentation

◆ readParameters()

◆ 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
isContinuationtrue iff continuation within a sweep

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

Definition at line 62 of file rpc/fts/compressor/LrAmCompressor.tpp.

References setup().

Referenced by setup().

◆ compress()

template<int D>
int Pscf::Rpc::LrAmCompressor< D >::compress ( )
override

Compress to obtain partial saddle point w+.

Returns
0 for convergence, 1 for failure

Definition at line 116 of file rpc/fts/compressor/LrAmCompressor.tpp.

References Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::solve().

◆ outputTimers()

template<int D>
void Pscf::Rpc::LrAmCompressor< D >::outputTimers ( std::ostream & out) const
override

Return compressor times contributions.

Parameters
outoutput stream

Definition at line 126 of file rpc/fts/compressor/LrAmCompressor.tpp.

References Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::outputTimers().

◆ clearTimers()

template<int D>
void Pscf::Rpc::LrAmCompressor< D >::clearTimers ( )
override

Clear all timers (reset accumulated time to zero).

Definition at line 137 of file rpc/fts/compressor/LrAmCompressor.tpp.

References Pscf::AmIteratorTmpl< Compressor< D >, DArray< double > >::clearTimers(), and Pscf::Rpc::Compressor< D >::mdeCounter_.


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