Pscf::Rp::AverageAnalyzer< D, T > Class Template Reference

Analyze averages and block averages of a single real variable. More...

#include <AverageAnalyzer.h>

Inheritance diagram for Pscf::Rp::AverageAnalyzer< D, T >:

Public Member Functions
virtual void	readParameters (std::istream &in)
	Read interval, outputFileName and (optionally) nSamplePerOutput.
virtual void	setup ()
	Setup before loop.
virtual void	sample (long iStep)
	Compute a sampled value and update the accumulator.
virtual void	output ()
	Write final results to file after a simulation.
int	nSamplePerOutput () const
	Get value of nSamplePerOutput.

Protected Member Functions
	AverageAnalyzer (typename T::Simulator &simulator, typename T::System &system)
	Constructor.
	~AverageAnalyzer ()=default
	Destructor.
virtual double	compute ()=0
	Compute value of sampled quantity.
virtual void	outputValue (int step, double value)
	Output a sampled or block average value.

Protected Attributes
std::ofstream	outputFile_
	Output file stream.
Average	accumulator_
	Average object.

Detailed Description

template<int D, class T>
class Pscf::Rp::AverageAnalyzer< D, T >

Analyze averages and block averages of a single real variable.

This class evaluates the average of a single sampled real variables, and optionally writes values or block averages to a data file during a simulation. It is intended for use as a base class for any Analyzer that computes and evaluates an average for a single physical variable.

Specializations of this template are used as base classes for two closely analogous class templates, also named AverageAnalyzer, that are defined in the Rpc and Rpg namespaces for use in the pscf_rpc and pscf_rpg programs.

Template parameters:

• D : dimension of space
• T : Types class, Rpc::Types<D> or Rpg::Types<D>.

Definition at line 40 of file fts/analyzer/AverageAnalyzer.h.

Constructor & Destructor Documentation

AverageAnalyzer()

template<int D, class T>

Pscf::Rp::AverageAnalyzer< D, T >::AverageAnalyzer ( typename T::Simulator & simulator, typename T::System & system )

protected

Constructor.

Parameters

simulator	parent Simulator object
system	parent System object

Definition at line 27 of file AverageAnalyzer.tpp.

~AverageAnalyzer()

template<int D, class T>

Pscf::Rp::AverageAnalyzer< D, T >::~AverageAnalyzer ( )

protecteddefault

Destructor.

Member Function Documentation

readParameters()

template<int D, class T>

void Pscf::Rp::AverageAnalyzer< D, T >::readParameters ( std::istream & in )

virtual

Read interval, outputFileName and (optionally) nSamplePerOutput.

The optional variable nSamplePerOutput defaults to 1, which causes every sampled value to be written to file. Setting nSamplePerOutput = 0 suppresses output of block averages to file.

Parameters

in	input parameter file

Definition at line 37 of file AverageAnalyzer.tpp.

References accumulator_, outputFile_, and Util::ParamComposite::readOptional().

setup()

template<int D, class T>

void Pscf::Rp::AverageAnalyzer< D, T >::setup ( )

virtual

Setup before loop.

Opens an output file, if nSamplePerOutput > 0.

Definition at line 60 of file AverageAnalyzer.tpp.

References accumulator_.

sample()

template<int D, class T>

void Pscf::Rp::AverageAnalyzer< D, T >::sample ( long iStep )

virtual

Compute a sampled value and update the accumulator.

Parameters

iStep

MD time step index

Definition at line 67 of file AverageAnalyzer.tpp.

output()

template<int D, class T>

void Pscf::Rp::AverageAnalyzer< D, T >::output ( )

virtual

Write final results to file after a simulation.

Write an average value. If the simulation does not have a ramp, it also writes an estimate of the error on the average and information estimates from hierarchichal block averages about how that estimate was obtained. Information about error analysis is suppressed when a ramp exists.

Definition at line 105 of file AverageAnalyzer.tpp.

References outputFile_.

nSamplePerOutput()

template<int D, class T>

int Pscf::Rp::AverageAnalyzer< D, T >::nSamplePerOutput ( ) const

inline

Get value of nSamplePerOutput.

If nSamplePerOutput == 0, output of block averages is disabled. For nSamplePerOutput > 0, nSamplePerOutput is the number of sampled values averaged in each block average.

Definition at line 143 of file fts/analyzer/AverageAnalyzer.h.

compute()

template<int D, class T>

virtual double Pscf::Rp::AverageAnalyzer< D, T >::compute ( )

protectedpure virtual

Compute value of sampled quantity.

outputValue()

template<int D, class T>

void Pscf::Rp::AverageAnalyzer< D, T >::outputValue ( int step, double value )

protectedvirtual

Output a sampled or block average value.

Parameters

step	value for step counter
value	value of physical observable

Definition at line 93 of file AverageAnalyzer.tpp.

References outputFile_, and UTIL_CHECK.

Member Data Documentation

outputFile_

template<int D, class T>

std::ofstream Pscf::Rp::AverageAnalyzer< D, T >::outputFile_

protected

Output file stream.

Definition at line 96 of file fts/analyzer/AverageAnalyzer.h.

Referenced by output(), outputValue(), and readParameters().

accumulator_

template<int D, class T>

Average Pscf::Rp::AverageAnalyzer< D, T >::accumulator_

protected

Average object.

Definition at line 99 of file fts/analyzer/AverageAnalyzer.h.

Referenced by readParameters(), and setup().

---

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

• fts/analyzer/AverageAnalyzer.h
• AverageAnalyzer.tpp