QMCDriverInput Class Reference

Input representation for Driver base class runtime parameters. More...

Collaboration diagram for QMCDriverInput:

Public Types
using	IndexType = QMCTraits::IndexType
using	RealType = QMCTraits::RealType
using	FullPrecisionRealType = QMCTraits::FullPrecRealType

Public Member Functions
void	readXML (xmlNodePtr cur)
	Reads qmc section xml node parameters. More...
	QMCDriverInput ()=default
	QMCDriverInput (const QMCDriverInput &)=default
QMCDriverInput &	operator= (const QMCDriverInput &)=default
	QMCDriverInput (QMCDriverInput &&) noexcept
QMCDriverInput &	operator= (QMCDriverInput &&) noexcept
int	get_recalculate_properties_period () const
input::PeriodStride	get_config_dump_period () const
IndexType	get_starting_step () const
IndexType	get_num_crowds () const
IndexType	get_walkers_per_rank () const
IndexType	get_total_walkers () const
IndexType	get_requested_samples () const
IndexType	get_sub_steps () const
RealType	get_max_disp_sq () const
IndexType	get_max_blocks () const
IndexType	get_requested_steps () const
IndexType	get_warmup_steps () const
RealType	get_tau () const
RealType	get_spin_mass () const
IndexType	get_blocks_between_recompute () const
bool	get_append_run () const
input::PeriodStride	get_walker_dump_period () const
input::PeriodStride	get_check_point_period () const
IndexType	get_k_delay () const
bool	get_reset_random () const
bool	get_dump_config () const
const std::string &	get_qmc_method () const
const std::string &	get_update_mode () const
DriverDebugChecks	get_debug_checks () const
bool	get_scoped_profiling () const
bool	areWalkersSerialized () const
bool	get_measure_imbalance () const
const std::string	get_drift_modifier () const
RealType	get_drift_modifier_unr_a () const
const std::optional< EstimatorManagerInput > &	get_estimator_manager_input () const

Protected Attributes
bool	scoped_profiling_ = false
DriverDebugChecks	debug_checks_ = DriverDebugChecks::ALL_OFF
	determine additional checks for debugging purpose More...
bool	measure_imbalance_ = false
	measure load imbalance (add a barrier) before data aggregation (obvious synchronization) More...
bool	crowd_serialize_walkers_ = false
	All input determined variables should be here They are read only for Drivers Do not write out blocks of gets for variables like this there will be code generation snippets soon in utils More...
int	recalculate_properties_period_ = 100
	period to recalculate the walker properties from scratch. More...
input::PeriodStride	config_dump_period_
	period of recording walker positions and IDs for forward walking afterwards More...
IndexType	starting_step_ = 0
IndexType	num_crowds_ = 0
IndexType	total_walkers_ = 0
IndexType	walkers_per_rank_ = 0
IndexType	requested_samples_ = 0
IndexType	sub_steps_ = 1
IndexType	max_blocks_ = 1
IndexType	requested_steps_ = 0
IndexType	warmup_steps_ = 0
RealType	tau_ = 0.1
RealType	spin_mass_ = 1.0
IndexType	blocks_between_recompute_ = std::is_same<RealType, FullPrecisionRealType>::value ? 0 : 1
bool	append_run_ = false
std::string	qmc_method_ {"invalid"}
std::string	update_mode_ {"pbyp"}
std::optional< EstimatorManagerInput >	estimator_manager_input_
	The EstimatorManagerInput for batched version input. More...
input::PeriodStride	walker_dump_period_ {0, 0}
input::PeriodStride	check_point_period_ {0, 0}
bool	dump_config_ = false
IndexType	k_delay_ = 0
bool	reset_random_ = false
RealType	max_disp_sq_ = -1.0
std::string	drift_modifier_ {"UNR"}
RealType	drift_modifier_unr_a_ = 1.0

Detailed Description

Input representation for Driver base class runtime parameters.

Definition at line 28 of file QMCDriverInput.h.

Member Typedef Documentation

FullPrecisionRealType

using FullPrecisionRealType = QMCTraits::FullPrecRealType

Definition at line 33 of file QMCDriverInput.h.

IndexType

using IndexType = QMCTraits::IndexType

Definition at line 31 of file QMCDriverInput.h.

RealType

using RealType = QMCTraits::RealType

Definition at line 32 of file QMCDriverInput.h.

Constructor & Destructor Documentation

QMCDriverInput() [1/3]

QMCDriverInput ( )

default

QMCDriverInput() [2/3]

QMCDriverInput ( const QMCDriverInput &  )

default

QMCDriverInput() [3/3]

QMCDriverInput ( QMCDriverInput &&  )

inlinedefaultnoexcept

Member Function Documentation

areWalkersSerialized()

bool areWalkersSerialized ( ) const

inline

Definition at line 134 of file QMCDriverInput.h.

References QMCDriverInput::scoped_profiling_.

Referenced by QMCDriverNew::initializeQMC().

{ return scoped_profiling_; }

get_append_run()

bool get_append_run ( ) const

inline

Definition at line 123 of file QMCDriverInput.h.

References QMCDriverInput::blocks_between_recompute_.

{ return blocks_between_recompute_; }

get_blocks_between_recompute()

IndexType get_blocks_between_recompute ( ) const

inline

Definition at line 122 of file QMCDriverInput.h.

References QMCDriverInput::spin_mass_.

Referenced by VMCBatched::run(), and DMCBatched::run().

{ return spin_mass_; }

get_check_point_period()

input::PeriodStride get_check_point_period ( ) const

inline

Definition at line 125 of file QMCDriverInput.h.

References QMCDriverInput::walker_dump_period_.

Referenced by QMCDriverNew::recordBlock().

{ return walker_dump_period_; }

get_config_dump_period()

input::PeriodStride get_config_dump_period ( ) const

inline

Definition at line 109 of file QMCDriverInput.h.

References QMCDriverInput::recalculate_properties_period_.

{ return recalculate_properties_period_; }

get_debug_checks()

DriverDebugChecks get_debug_checks ( ) const

inline

Definition at line 132 of file QMCDriverInput.h.

References QMCDriverInput::update_mode_.

Referenced by VMCBatched::advanceWalkers(), and DMCBatched::advanceWalkers().

{ return update_mode_; }

get_drift_modifier()

const std::string get_drift_modifier ( ) const

inline

Definition at line 137 of file QMCDriverInput.h.

Referenced by QMCDriverNew::QMCDriverNew().

get_drift_modifier_unr_a()

RealType get_drift_modifier_unr_a ( ) const

inline

Definition at line 138 of file QMCDriverInput.h.

References QMCDriverInput::drift_modifier_.

Referenced by QMCDriverNew::QMCDriverNew().

{ return drift_modifier_; }

get_dump_config()

bool get_dump_config ( ) const

inline

Definition at line 128 of file QMCDriverInput.h.

References QMCDriverInput::reset_random_.

Referenced by QMCDriverNew::finalize(), and QMCDriverNew::recordBlock().

{ return reset_random_; }

get_estimator_manager_input()

const std::optional<EstimatorManagerInput>& get_estimator_manager_input ( ) const

inline

Definition at line 140 of file QMCDriverInput.h.

References QMCDriverInput::estimator_manager_input_.

Referenced by QMCDriverNew::QMCDriverNew().

get_k_delay()

IndexType get_k_delay ( ) const

inline

Definition at line 126 of file QMCDriverInput.h.

References QMCDriverInput::check_point_period_.

{ return check_point_period_; }

get_max_blocks()

IndexType get_max_blocks ( ) const

inline

Definition at line 117 of file QMCDriverInput.h.

References QMCDriverInput::max_disp_sq_.

Referenced by VMCBatched::enable_sample_collection(), QMCDriverNew::initializeQMC(), qmcplusplus::operator<<(), VMCBatched::process(), DMCBatched::process(), VMCBatched::run(), and DMCBatched::run().

{ return max_disp_sq_; }

get_max_disp_sq()

RealType get_max_disp_sq ( ) const

inline

Definition at line 116 of file QMCDriverInput.h.

References QMCDriverInput::sub_steps_.

{ return sub_steps_; }

get_measure_imbalance()

bool get_measure_imbalance ( ) const

inline

Definition at line 135 of file QMCDriverInput.h.

References QMCDriverInput::crowd_serialize_walkers_.

Referenced by QMCDriverNew::initializeQMC(), VMCBatched::run(), and DMCBatched::run().

{ return crowd_serialize_walkers_; }

get_num_crowds()

IndexType get_num_crowds ( ) const

inline

Definition at line 111 of file QMCDriverInput.h.

References QMCDriverInput::starting_step_.

Referenced by QMCDriverNewTestWrapper::process(), VMCBatched::process(), DMCBatched::process(), and QMCFixedSampleLinearOptimizeBatched::processOptXML().

{ return starting_step_; }

get_qmc_method()

const std::string& get_qmc_method ( ) const

inline

Definition at line 130 of file QMCDriverInput.h.

Referenced by qmcplusplus::TEST_CASE().

get_recalculate_properties_period()

int get_recalculate_properties_period ( ) const

inline

Definition at line 108 of file QMCDriverInput.h.

Referenced by VMCBatched::run(), and DMCBatched::run().

:
  int get_recalculate_properties_period() const { return recalculate_properties_period_; }

get_requested_samples()

IndexType get_requested_samples ( ) const

inline

Definition at line 114 of file QMCDriverInput.h.

References QMCDriverInput::total_walkers_.

Referenced by VMCBatched::process(), and DMCBatched::process().

{ return total_walkers_; }

get_requested_steps()

IndexType get_requested_steps ( ) const

inline

Definition at line 118 of file QMCDriverInput.h.

References QMCDriverInput::max_blocks_.

Referenced by QMCDriverNew::initializeQMC(), VMCBatched::process(), and DMCBatched::process().

{ return max_blocks_; }

get_reset_random()

bool get_reset_random ( ) const

inline

Definition at line 127 of file QMCDriverInput.h.

References QMCDriverInput::k_delay_.

{ return k_delay_; }

get_scoped_profiling()

bool get_scoped_profiling ( ) const

inline

Definition at line 133 of file QMCDriverInput.h.

References QMCDriverInput::debug_checks_.

{ return debug_checks_; }

get_spin_mass()

RealType get_spin_mass ( ) const

inline

Definition at line 121 of file QMCDriverInput.h.

References QMCDriverInput::tau_.

Referenced by VMCBatched::advanceWalkers(), and DMCBatched::advanceWalkers().

{ return tau_; }

get_starting_step()

IndexType get_starting_step ( ) const

inline

Definition at line 110 of file QMCDriverInput.h.

References QMCDriverInput::config_dump_period_.

{ return config_dump_period_; }

get_sub_steps()

IndexType get_sub_steps ( ) const

inline

Definition at line 115 of file QMCDriverInput.h.

References QMCDriverInput::requested_samples_.

Referenced by VMCBatched::advanceWalkers(), and qmcplusplus::operator<<().

{ return requested_samples_; }

get_tau()

RealType get_tau ( ) const

inline

Definition at line 120 of file QMCDriverInput.h.

References QMCDriverInput::warmup_steps_.

Referenced by VMCBatched::advanceWalkers(), DMCBatched::advanceWalkers(), qmcplusplus::operator<<(), DMCBatched::process(), VMCBatched::run(), and DMCBatched::setNonLocalMoveHandler().

{ return warmup_steps_; }

get_total_walkers()

IndexType get_total_walkers ( ) const

inline

Definition at line 113 of file QMCDriverInput.h.

References QMCDriverInput::walkers_per_rank_.

Referenced by QMCDriverNewTestWrapper::process(), VMCBatched::process(), DMCBatched::process(), and QMCFixedSampleLinearOptimizeBatched::processOptXML().

{ return walkers_per_rank_; }

get_update_mode()

const std::string& get_update_mode ( ) const

inline

Definition at line 131 of file QMCDriverInput.h.

References QMCDriverInput::qmc_method_.

{ return qmc_method_; }

get_walker_dump_period()

input::PeriodStride get_walker_dump_period ( ) const

inline

Definition at line 124 of file QMCDriverInput.h.

References QMCDriverInput::append_run_.

{ return append_run_; }

get_walkers_per_rank()

IndexType get_walkers_per_rank ( ) const

inline

Definition at line 112 of file QMCDriverInput.h.

References QMCDriverInput::num_crowds_.

Referenced by QMCDriverNewTestWrapper::process(), VMCBatched::process(), DMCBatched::process(), and QMCFixedSampleLinearOptimizeBatched::processOptXML().

{ return num_crowds_; }

get_warmup_steps()

IndexType get_warmup_steps ( ) const

inline

Definition at line 119 of file QMCDriverInput.h.

References QMCDriverInput::requested_steps_.

Referenced by VMCBatched::run().

{ return requested_steps_; }

operator=() [1/2]

QMCDriverInput& operator= ( const QMCDriverInput &  )

default

operator=() [2/2]

QMCDriverInput & operator= ( QMCDriverInput &&  )

inlinedefaultnoexcept

readXML()

void readXML

(

xmlNodePtr

cur

)

Reads qmc section xml node parameters.

All shared parameters are read here attribute list

• checkpoint="-1|0|n" default=-1 – 1 = do not write anything – 0 = dump after the completion of a qmc section – n = dump after n blocks
• kdelay = "0|1|n" default=0

Definition at line 34 of file QMCDriverInput.cpp.

References OhmmsAttributeSet::add(), ParameterSet::add(), qmcplusplus::ALL_OFF, qmcplusplus::app_summary(), QMCDriverInput::blocks_between_recompute_, castXMLCharToChar(), QMCDriverInput::check_point_period_, qmcplusplus::CHECKGL_AFTER_LOAD, qmcplusplus::CHECKGL_AFTER_MOVES, qmcplusplus::CHECKGL_AFTER_TMOVE, QMCDriverInput::config_dump_period_, QMCDriverInput::crowd_serialize_walkers_, QMCDriverInput::debug_checks_, QMCDriverInput::drift_modifier_, QMCDriverInput::drift_modifier_unr_a_, QMCDriverInput::dump_config_, QMCDriverInput::estimator_manager_input_, QMCDriverInput::k_delay_, qmcplusplus::lowerCase(), QMCDriverInput::max_blocks_, QMCDriverInput::max_disp_sq_, QMCDriverInput::measure_imbalance_, QMCDriverInput::num_crowds_, ParameterSet::put(), OhmmsAttributeSet::put(), QMCDriverInput::qmc_method_, QMCDriverInput::recalculate_properties_period_, QMCDriverInput::requested_samples_, QMCDriverInput::requested_steps_, QMCDriverInput::reset_random_, QMCDriverInput::scoped_profiling_, QMCDriverInput::spin_mass_, QMCDriverInput::starting_step_, QMCDriverInput::sub_steps_, QMCDriverInput::tau_, QMCDriverInput::total_walkers_, UNSUPPORTED, QMCDriverInput::update_mode_, QMCDriverInput::walker_dump_period_, QMCDriverInput::walkers_per_rank_, and QMCDriverInput::warmup_steps_.

Referenced by DMCFactoryNew::create(), VMCFactoryNew::create(), SetupDMCTest::operator()(), QMCFixedSampleLinearOptimizeBatched::processOptXML(), qmcplusplus::QMCWFOptLinearFactoryNew(), qmcplusplus::TEST_CASE(), and VMCBatchedTest::testCalcDefaultLocalWalkers().

{
  // ParameterSet has an dependency on the lifetime of the backing xmlNodePtr
  // so its better it not live long

  std::string debug_checks_str;
  std::string measure_imbalance_str;
  int Period4CheckPoint{0};
  int dummy_int = 0;

  ParameterSet parameter_set;
  parameter_set.add(recalculate_properties_period_, "checkProperties");
  parameter_set.add(recalculate_properties_period_, "checkproperties");
  parameter_set.add(recalculate_properties_period_, "check_properties");
  parameter_set.add(config_dump_period_.period, "recordconfigs");
  parameter_set.add(config_dump_period_.period, "record_configs");
  parameter_set.add(starting_step_, "current");
  parameter_set.add(max_blocks_, "blocks");
  parameter_set.add(requested_steps_, "steps");
  parameter_set.add(sub_steps_, "substeps");
  parameter_set.add(sub_steps_, "sub_steps");
  parameter_set.add(warmup_steps_, "warmupsteps");
  parameter_set.add(warmup_steps_, "warmup_steps");
  parameter_set.add(num_crowds_, "crowds");
  parameter_set.add(crowd_serialize_walkers_, "crowd_serialize_walkers", {false});
  parameter_set.add(walkers_per_rank_, "walkers_per_rank");
  parameter_set.add(dummy_int, "walkers", {}, TagStatus::UNSUPPORTED);
  parameter_set.add(total_walkers_, "total_walkers");
  parameter_set.add(dummy_int, "stepsbetweensamples", {}, TagStatus::UNSUPPORTED);
  parameter_set.add(dummy_int, "samplesperthread", {}, TagStatus::UNSUPPORTED);
  parameter_set.add(requested_samples_, "samples");
  parameter_set.add(tau_, "timestep");
  parameter_set.add(tau_, "time_step");
  parameter_set.add(tau_, "tau");
  parameter_set.add(spin_mass_, "spin_mass");
  parameter_set.add(blocks_between_recompute_, "blocks_between_recompute");
  parameter_set.add(drift_modifier_, "drift_modifier");
  parameter_set.add(drift_modifier_unr_a_, "drift_UNR_a");
  parameter_set.add(max_disp_sq_, "maxDisplSq");
  parameter_set.add(debug_checks_str, "debug_checks",
                    {"no", "all", "checkGL_after_load", "checkGL_after_moves", "checkGL_after_tmove"});
  parameter_set.add(measure_imbalance_, "measure_imbalance", {false});

  OhmmsAttributeSet aAttrib;
  // first stage in from QMCDriverFactory
  aAttrib.add(qmc_method_, "method");
  aAttrib.add(update_mode_, "move");
  aAttrib.add(scoped_profiling_, "profiling");
  aAttrib.add(Period4CheckPoint, "checkpoint");
  aAttrib.add(k_delay_, "kdelay");
  // This does all the parameter parsing setup in the constructor
  aAttrib.put(cur);

  //set default to match legacy QMCDriver
  check_point_period_.stride = Period4CheckPoint;
  check_point_period_.period = Period4CheckPoint;

  if (cur != NULL)
  {
    //initialize the parameter set
    parameter_set.put(cur);

    xmlNodePtr tcur = cur->children;
    //determine how often to print walkers to hdf5 file
    while (tcur != NULL)
    {
      std::string cname{lowerCase(castXMLCharToChar(tcur->name))};
      if (cname == "record")
      {
        //dump walkers for optimization
        OhmmsAttributeSet rAttrib;
        rAttrib.add(walker_dump_period_.stride, "stride");
        rAttrib.add(walker_dump_period_.period, "period");
        rAttrib.put(tcur);
      }
      else if (cname == "checkpoint")
      {
        OhmmsAttributeSet rAttrib;
        rAttrib.add(check_point_period_.stride, "stride");
        rAttrib.add(check_point_period_.period, "period");
        rAttrib.put(tcur);
      }
      else if (cname == "dumpconfig")
      {
        OhmmsAttributeSet rAttrib;
        rAttrib.add(config_dump_period_.stride, "stride");
        rAttrib.add(config_dump_period_.period, "period");
        rAttrib.put(tcur);
      }
      else if (cname == "random")
      {
        reset_random_ = true;
      }
      // These complications are due to the need to support bare <esimator> nodes
      else if (cname == "estimators" || cname == "estimator")
      {
        if (estimator_manager_input_)
          estimator_manager_input_->readXML(tcur);
        else
          estimator_manager_input_ = std::optional<EstimatorManagerInput>(std::in_place, tcur);
      }
      tcur = tcur->next;
    }
  }

  if (crowd_serialize_walkers_)
    app_summary() << "  Batched operations are serialized over walkers." << std::endl;
  if (scoped_profiling_)
    app_summary() << "  Profiler data collection is enabled in this driver scope." << std::endl;

  if (debug_checks_str == "no")
    debug_checks_ = DriverDebugChecks::ALL_OFF;
  else
  {
    if (debug_checks_str == "all" || debug_checks_str == "checkGL_after_load")
      debug_checks_ |= DriverDebugChecks::CHECKGL_AFTER_LOAD;
    if (debug_checks_str == "all" || debug_checks_str == "checkGL_after_moves")
      debug_checks_ |= DriverDebugChecks::CHECKGL_AFTER_MOVES;
    if (debug_checks_str == "all" || debug_checks_str == "checkGL_after_tmove")
      debug_checks_ |= DriverDebugChecks::CHECKGL_AFTER_TMOVE;
  }

  if (check_point_period_.period < 1)
    check_point_period_.period = max_blocks_;

  dump_config_ = (Period4CheckPoint >= 0);
}

Member Data Documentation

append_run_

bool append_run_ = false

protected

Definition at line 81 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_walker_dump_period().

blocks_between_recompute_

IndexType blocks_between_recompute_ = std::is_same<RealType, FullPrecisionRealType>::value ? 0 : 1

protected

Definition at line 80 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_append_run(), and QMCDriverInput::readXML().

check_point_period_

input::PeriodStride check_point_period_ {0, 0}

protected

Definition at line 93 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_k_delay(), and QMCDriverInput::readXML().

config_dump_period_

input::PeriodStride config_dump_period_

protected

period of recording walker positions and IDs for forward walking afterwards

Definition at line 64 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_starting_step(), and QMCDriverInput::readXML().

crowd_serialize_walkers_

bool crowd_serialize_walkers_ = false

protected

All input determined variables should be here They are read only for Drivers Do not write out blocks of gets for variables like this there will be code generation snippets soon in utils

if true, batched operations are serialized over walkers

Definition at line 60 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_measure_imbalance(), and QMCDriverInput::readXML().

debug_checks_

DriverDebugChecks debug_checks_ = DriverDebugChecks::ALL_OFF

protected

determine additional checks for debugging purpose

Definition at line 47 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_scoped_profiling(), and QMCDriverInput::readXML().

drift_modifier_

std::string drift_modifier_ {"UNR"}

protected

Definition at line 102 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_drift_modifier_unr_a(), and QMCDriverInput::readXML().

drift_modifier_unr_a_

RealType drift_modifier_unr_a_ = 1.0

protected

Definition at line 103 of file QMCDriverInput.h.

Referenced by QMCDriverInput::readXML().

dump_config_

bool dump_config_ = false

protected

Definition at line 94 of file QMCDriverInput.h.

Referenced by QMCDriverInput::readXML().

estimator_manager_input_

std::optional<EstimatorManagerInput> estimator_manager_input_

protected

The EstimatorManagerInput for batched version input.

Definition at line 89 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_estimator_manager_input(), and QMCDriverInput::readXML().

k_delay_

IndexType k_delay_ = 0

protected

Definition at line 95 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_reset_random(), and QMCDriverInput::readXML().

max_blocks_

IndexType max_blocks_ = 1

protected

Definition at line 73 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_requested_steps(), and QMCDriverInput::readXML().

max_disp_sq_

RealType max_disp_sq_ = -1.0

protected

Definition at line 99 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_max_blocks(), and QMCDriverInput::readXML().

measure_imbalance_

bool measure_imbalance_ = false

protected

measure load imbalance (add a barrier) before data aggregation (obvious synchronization)

Definition at line 49 of file QMCDriverInput.h.

Referenced by QMCDriverInput::readXML().

num_crowds_

IndexType num_crowds_ = 0

protected

Definition at line 66 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_walkers_per_rank(), and QMCDriverInput::readXML().

qmc_method_

std::string qmc_method_ {"invalid"}

protected

Definition at line 84 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_update_mode(), and QMCDriverInput::readXML().

recalculate_properties_period_

int recalculate_properties_period_ = 100

protected

period to recalculate the walker properties from scratch.

Definition at line 62 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_config_dump_period(), and QMCDriverInput::readXML().

requested_samples_

IndexType requested_samples_ = 0

protected

Definition at line 70 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_sub_steps(), and QMCDriverInput::readXML().

requested_steps_

IndexType requested_steps_ = 0

protected

Definition at line 75 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_warmup_steps(), and QMCDriverInput::readXML().

reset_random_

bool reset_random_ = false

protected

Definition at line 96 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_dump_config(), and QMCDriverInput::readXML().

scoped_profiling_

bool scoped_profiling_ = false

protected

Definition at line 45 of file QMCDriverInput.h.

Referenced by QMCDriverInput::areWalkersSerialized(), and QMCDriverInput::readXML().

spin_mass_

RealType spin_mass_ = 1.0

protected

Definition at line 78 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_blocks_between_recompute(), and QMCDriverInput::readXML().

starting_step_

IndexType starting_step_ = 0

protected

Definition at line 65 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_num_crowds(), and QMCDriverInput::readXML().

sub_steps_

IndexType sub_steps_ = 1

protected

Definition at line 71 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_max_disp_sq(), and QMCDriverInput::readXML().

tau_

RealType tau_ = 0.1

protected

Definition at line 77 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_spin_mass(), and QMCDriverInput::readXML().

total_walkers_

IndexType total_walkers_ = 0

protected

Definition at line 68 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_requested_samples(), and QMCDriverInput::readXML().

update_mode_

std::string update_mode_ {"pbyp"}

protected

Definition at line 85 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_debug_checks(), and QMCDriverInput::readXML().

walker_dump_period_

input::PeriodStride walker_dump_period_ {0, 0}

protected

Definition at line 92 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_check_point_period(), and QMCDriverInput::readXML().

walkers_per_rank_

IndexType walkers_per_rank_ = 0

protected

Definition at line 69 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_total_walkers(), and QMCDriverInput::readXML().

warmup_steps_

IndexType warmup_steps_ = 0

protected

Definition at line 76 of file QMCDriverInput.h.

Referenced by QMCDriverInput::get_tau(), and QMCDriverInput::readXML().

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