DMCRefEnergy Class Reference

Handle updating Eref used for calculating the trial energy. More...

Collaboration diagram for DMCRefEnergy:

Public Types
enum	DataLayout { ENERGY = 0, VARIANCE, DATA_SIZE }
using	FullPrecReal = QMCTraits::FullPrecRealType

Public Member Functions
	DMCRefEnergy (DMCRefEnergyScheme scheme, size_t history_limit)
std::tuple< FullPrecReal, FullPrecReal >	getEnergyVariance () const
	return energy and variance More...
void	pushWeightEnergyVariance (FullPrecReal weight, FullPrecReal ene, FullPrecReal var)
	record weight, energy and variance. More...
size_t	count () const
	return record count. More...

Private Attributes
DMCRefEnergyScheme	scheme_
	scheme More...
accumulator_set< FullPrecReal >	energy_hist_
	a simple accumulator for energy More...
accumulator_set< FullPrecReal >	variance_hist_
	a simple accumulator for variance More...
SizeLimitedDataQueue< FullPrecReal, DataLayout::DATA_SIZE >	energy_and_variance_

Detailed Description

Handle updating Eref used for calculating the trial energy.

Definition at line 25 of file DMCRefEnergy.h.

Member Typedef Documentation

FullPrecReal

using FullPrecReal = QMCTraits::FullPrecRealType

Definition at line 28 of file DMCRefEnergy.h.

Member Enumeration Documentation

DataLayout

enum DataLayout

Enumerator
ENERGY
VARIANCE
DATA_SIZE

Definition at line 30 of file DMCRefEnergy.h.

  {
    ENERGY = 0,
    VARIANCE,
    DATA_SIZE
  };

Constructor & Destructor Documentation

DMCRefEnergy()

DMCRefEnergy	(	DMCRefEnergyScheme	scheme,
		size_t	history_limit
	)

Definition at line 20 of file DMCRefEnergy.cpp.

    : scheme_(scheme), energy_and_variance_(history_limit)
{}

Member Function Documentation

count()

size_t count

(

)

const

return record count.

Definition at line 46 of file DMCRefEnergy.cpp.

References accumulator_set< T, typename >::count(), DMCRefEnergy::energy_and_variance_, DMCRefEnergy::energy_hist_, qmcplusplus::LIMITED_HISTORY, DMCRefEnergy::scheme_, SizeLimitedDataQueue< T, NUM_FIELDS >::size(), and DMCRefEnergy::variance_hist_.

Referenced by SFNBranch::updateParamAfterPopControl().

{
  if (scheme_ == DMCRefEnergyScheme::LIMITED_HISTORY)
    return energy_and_variance_.size();
  else
  {
    assert(energy_hist_.count() == variance_hist_.count());
    return energy_hist_.count();
  }
}

getEnergyVariance()

std::tuple< FullPrecReal, FullPrecReal > getEnergyVariance

(

)

const

return energy and variance

Definition at line 24 of file DMCRefEnergy.cpp.

References DMCRefEnergy::ENERGY, DMCRefEnergy::energy_and_variance_, DMCRefEnergy::energy_hist_, qmcplusplus::LIMITED_HISTORY, accumulator_set< T, typename >::mean(), DMCRefEnergy::scheme_, DMCRefEnergy::VARIANCE, DMCRefEnergy::variance_hist_, and SizeLimitedDataQueue< T, NUM_FIELDS >::weighted_avg().

Referenced by SFNBranch::updateParamAfterPopControl().

{
  if (scheme_ == DMCRefEnergyScheme::LIMITED_HISTORY)
  {
    auto avg = energy_and_variance_.weighted_avg();
    return {avg[ENERGY], avg[VARIANCE]};
  }
  else
    return {energy_hist_.mean(), variance_hist_.mean()};
}

pushWeightEnergyVariance()

void pushWeightEnergyVariance	(	FullPrecReal	weight,
		FullPrecReal	ene,
		FullPrecReal	var
	)

record weight, energy and variance.

Definition at line 35 of file DMCRefEnergy.cpp.

References DMCRefEnergy::energy_and_variance_, DMCRefEnergy::energy_hist_, qmcplusplus::LIMITED_HISTORY, SizeLimitedDataQueue< T, NUM_FIELDS >::push(), DMCRefEnergy::scheme_, and DMCRefEnergy::variance_hist_.

Referenced by SFNBranch::updateParamAfterPopControl().

{
  if (scheme_ == DMCRefEnergyScheme::LIMITED_HISTORY)
    energy_and_variance_.push({weight, {ene, var}});
  else
  {
    energy_hist_(ene);
    variance_hist_(var);
  }
}

Member Data Documentation

energy_and_variance_

SizeLimitedDataQueue<FullPrecReal, DataLayout::DATA_SIZE> energy_and_variance_

private

Definition at line 48 of file DMCRefEnergy.h.

Referenced by DMCRefEnergy::count(), DMCRefEnergy::getEnergyVariance(), and DMCRefEnergy::pushWeightEnergyVariance().

energy_hist_

accumulator_set<FullPrecReal> energy_hist_

private

a simple accumulator for energy

Definition at line 43 of file DMCRefEnergy.h.

Referenced by DMCRefEnergy::count(), DMCRefEnergy::getEnergyVariance(), and DMCRefEnergy::pushWeightEnergyVariance().

scheme_

DMCRefEnergyScheme scheme_

private

scheme

Definition at line 39 of file DMCRefEnergy.h.

Referenced by DMCRefEnergy::count(), DMCRefEnergy::getEnergyVariance(), and DMCRefEnergy::pushWeightEnergyVariance().

variance_hist_

accumulator_set<FullPrecReal> variance_hist_

private

a simple accumulator for variance

Definition at line 45 of file DMCRefEnergy.h.

Referenced by DMCRefEnergy::count(), DMCRefEnergy::getEnergyVariance(), and DMCRefEnergy::pushWeightEnergyVariance().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/DMC/DMCRefEnergy.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/DMC/DMCRefEnergy.cpp