QMCCorrelatedSamplingVMCOptimization Class Reference

Optimize the parameters in a variational QMC (VMC) calculation using the correlated sampling method. More...

#include <QMCCorrelatedSamplingVMCOptimization.h>

List of all members.

Static Public Member Functions
static void	optimize (QMCInput *input, QMCProperties &lastRun, QMCPropertyArrays &fwLastRun, int configsToSkip)
	Optimizes the parameters in a variational QMC (VMC) calculation using the correlated sampling method.
Static Private Attributes
static int	optStep = 1

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Detailed Description

Optimize the parameters in a variational QMC (VMC) calculation using the correlated sampling method.

Definition at line 29 of file QMCCorrelatedSamplingVMCOptimization.h.

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Member Function Documentation

void QMCCorrelatedSamplingVMCOptimization::optimize	(	QMCInput *	input,
		QMCProperties &	lastRun,
		QMCPropertyArrays &	fwLastRun,
		int	configsToSkip
	)			[static]

Optimizes the parameters in a variational QMC (VMC) calculation using the correlated sampling method.

Parameters:

input

data input to control the calculation.

Definition at line 17 of file QMCCorrelatedSamplingVMCOptimization.cpp.

References QMCFlags::a_diag, Array1D< T >::allocate(), Array1D< T >::array(), QMCFlags::calculate_Derivatives, QMCJastrowParameters::calculate_penalty_function(), QMCInput::cs_Parameters, Array1D< T >::deallocate(), Array1D< T >::dim1(), QMCProperties::energy, QMCInput::flags, QMCInput::getAIParameters(), QMCProperty::getAverage(), QMCWavefunction::getCINorm(), QMCJastrowParameters::getJWParameters(), QMCProperty::getNumberSamples(), QMCJastrowParameters::getPoles(), QMCProperty::getSeriallyCorrelatedVariance(), globalInput, QMCObjectiveFunction::initialize(), IeeeMath::isNaN(), QMCInput::JP, QMCFlags::my_rank, QMCWavefunction::normalizeCI(), QMCFlags::optimization_max_iterations, QMCOptimizationFactory::optimizationAlgorithmFactory(), QMCOptimizationAlgorithm::optimize(), optStep, QMCJastrowParameters::print(), QMCInput::printAIParameters(), QMCInput::setAIParameters(), QMCInput::WF, and QMCReadAndEvaluateConfigs::workerCalculateProperties().

Referenced by QMCManager::optimize().

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Member Data Documentation

int QMCCorrelatedSamplingVMCOptimization::optStep = 1 [static, private]

Definition at line 31 of file QMCCorrelatedSamplingVMCOptimization.h.

Referenced by optimize().

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

• QMCCorrelatedSamplingVMCOptimization.h
• QMCCorrelatedSamplingVMCOptimization.cpp