votca::xtp::ToFSimulation Class Reference

Many independent time-of-flight KMC runs on a ToFGraph and their statistics. More...

#include <tofsimulation.h>

Collaboration diagram for votca::xtp::ToFSimulation:

Classes
struct	Settings
struct	RunData
struct	Statistic
struct	Result

Public Member Functions
	ToFSimulation (const ToFGraph &graph, const Settings &settings)
	static rates of the graph, exponential waiting times
	ToFSimulation (const ToFGraph &graph, const Settings &settings, const TimeDependentRates &rates, WaitingTimeStrategy &strategy)
const std::string &	StrategyName () const
Result	Simulate () const

Static Public Member Functions
static Statistic	Analyze (std::vector< double > samples)

Private Member Functions
RunData	SingleRun (Index run, std::vector< double > &current, std::vector< double > &arrivals, double &before, double &after) const
Index	Bin (double t) const
void	Setup ()

Private Attributes
const ToFGraph &	graph_
Settings	settings_
std::unique_ptr< StaticRates >	own_rates_
std::unique_ptr< WaitingTimeStrategy >	own_strategy_
std::unique_ptr< KMCEngine >	engine_
std::string	strategy_name_
std::vector< double >	edges_

Detailed Description

Many independent time-of-flight KMC runs on a ToFGraph and their statistics.

Per run: the time until the first carrier reaches a sink ("first") and the mean transit time per absorbed carrier, transit = absorption - injection time ("transit"); with all carriers injected at t = 0 these are the observables of GraphRandomWalk. Censored runs (stopped by a limit) are counted and left out of the means, which biases them low; the caller should report them.

Transient current (Ramo-Shockley): every accepted hop contributes its displacement along the transport normal, binned on a logarithmic time axis and normalized by L x injected carriers x bin width, so that its integral is the mean displacement per injected carrier in units of L (about 1 for complete collection). The collected fraction is the number of absorptions up to the end of each bin per injected carrier.

Runs are done in blocks in parallel (OpenMP); per-run data are reduced in run order, so results do not depend on the number of threads.

Definition at line 60 of file tofsimulation.h.

Constructor & Destructor Documentation

ToFSimulation() [1/2]

votca::xtp::ToFSimulation::ToFSimulation	(	const ToFGraph &	graph,
		const Settings &	settings )

static rates of the graph, exponential waiting times

Definition at line 74 of file tofsimulation.cc.

ToFSimulation() [2/2]

votca::xtp::ToFSimulation::ToFSimulation	(	const ToFGraph &	graph,
		const Settings &	settings,
		const TimeDependentRates &	rates,
		WaitingTimeStrategy &	strategy )

any rates and waiting-time strategy; calls strategy.Prepare(rates); rates and strategy must outlive the simulation

Definition at line 85 of file tofsimulation.cc.

Member Function Documentation

Analyze()

ToFSimulation::Statistic votca::xtp::ToFSimulation::Analyze ( std::vector< double > samples )

static

Definition at line 172 of file tofsimulation.cc.

Bin()

Index votca::xtp::ToFSimulation::Bin ( double t ) const

private

Definition at line 124 of file tofsimulation.cc.

Setup()

void votca::xtp::ToFSimulation::Setup ( )

private

Definition at line 99 of file tofsimulation.cc.

Simulate()

ToFSimulation::Result votca::xtp::ToFSimulation::Simulate

(

)

const

Definition at line 193 of file tofsimulation.cc.

SingleRun()

ToFSimulation::RunData votca::xtp::ToFSimulation::SingleRun ( Index run, std::vector< double > & current, std::vector< double > & arrivals, double & before, double & after ) const

private

Definition at line 136 of file tofsimulation.cc.

StrategyName()

const std::string & votca::xtp::ToFSimulation::StrategyName ( ) const

inline

Definition at line 113 of file tofsimulation.h.

Member Data Documentation

edges_

std::vector<double> votca::xtp::ToFSimulation::edges_

private

Definition at line 133 of file tofsimulation.h.

engine_

std::unique_ptr<KMCEngine> votca::xtp::ToFSimulation::engine_

private

Definition at line 131 of file tofsimulation.h.

graph_

const ToFGraph& votca::xtp::ToFSimulation::graph_

private

Definition at line 127 of file tofsimulation.h.

own_rates_

std::unique_ptr<StaticRates> votca::xtp::ToFSimulation::own_rates_

private

Definition at line 129 of file tofsimulation.h.

own_strategy_

std::unique_ptr<WaitingTimeStrategy> votca::xtp::ToFSimulation::own_strategy_

private

Definition at line 130 of file tofsimulation.h.

settings_

Settings votca::xtp::ToFSimulation::settings_

private

Definition at line 128 of file tofsimulation.h.

strategy_name_

std::string votca::xtp::ToFSimulation::strategy_name_

private

Definition at line 132 of file tofsimulation.h.

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

• xtp/include/votca/xtp/tofsimulation.h
• xtp/src/libxtp/tofsimulation.cc