votca::xtp::GNode Class Reference

#include <gnode.h>

Collaboration diagram for votca::xtp::GNode:

Public Member Functions
	GNode (const Segment &seg, QMStateType carriertype, bool injectable)
bool	isOccupied () const
void	setOccupation (bool occupied)
bool	isInjectable () const
bool	canDecay () const
const Eigen::Vector3d &	getPos () const
Index	getId () const
void	UpdateOccupationTime (double deltat)
const std::vector< GLink > &	Events () const
double	OccupationTime () const
double	getEscapeRate () const
void	InitEscapeRate ()
void	AddDecayEvent (double decayrate)
void	AddEventfromQmPair (const QMPair &pair, std::vector< GNode > &nodes, double rate)
double	getSitenergy () const
GLink *	findHoppingDestination (double p) const
void	MakeHuffTree ()
void	AddEvent (GNode *seg2, const Eigen::Vector3d &dr, double rate)

Private Member Functions
void	organizeProbabilities (Index id, double add)
void	moveProbabilities (Index id)

Private Attributes
Index	id_ = 0
bool	occupied_ = false
double	occupationtime_ = 0.0
double	escape_rate_ = 0.0
bool	hasdecay_ = false
double	siteenergy_
Eigen::Vector3d	position_
bool	injectable_ = true
std::vector< GLink >	events_
huffmanTree< GLink >	hTree

Detailed Description

Definition at line 31 of file gnode.h.

Constructor & Destructor Documentation

GNode()

votca::xtp::GNode::GNode ( const Segment & seg, QMStateType carriertype, bool injectable )

inline

Definition at line 33 of file gnode.h.

Member Function Documentation

AddDecayEvent()

void votca::xtp::GNode::AddDecayEvent

(

double

decayrate

)

Definition at line 28 of file gnode.cc.

AddEvent()

void votca::xtp::GNode::AddEvent	(	GNode *	seg2,
		const Eigen::Vector3d &	dr,
		double	rate )

Definition at line 33 of file gnode.cc.

AddEventfromQmPair()

void votca::xtp::GNode::AddEventfromQmPair	(	const QMPair &	pair,
		std::vector< GNode > &	nodes,
		double	rate )

Definition at line 53 of file gnode.cc.

canDecay()

bool votca::xtp::GNode::canDecay ( ) const

inline

Definition at line 42 of file gnode.h.

Events()

const std::vector< GLink > & votca::xtp::GNode::Events ( ) const

inline

Definition at line 47 of file gnode.h.

findHoppingDestination()

GLink * votca::xtp::GNode::findHoppingDestination

(

double

p

)

const

Definition at line 44 of file gnode.cc.

getEscapeRate()

double votca::xtp::GNode::getEscapeRate ( ) const

inline

Definition at line 50 of file gnode.h.

getId()

Index votca::xtp::GNode::getId ( ) const

inline

Definition at line 44 of file gnode.h.

getPos()

const Eigen::Vector3d & votca::xtp::GNode::getPos ( ) const

inline

Definition at line 43 of file gnode.h.

getSitenergy()

double votca::xtp::GNode::getSitenergy ( ) const

inline

Definition at line 55 of file gnode.h.

InitEscapeRate()

void votca::xtp::GNode::InitEscapeRate

(

)

Definition at line 37 of file gnode.cc.

isInjectable()

bool votca::xtp::GNode::isInjectable ( ) const

inline

Definition at line 41 of file gnode.h.

isOccupied()

bool votca::xtp::GNode::isOccupied ( ) const

inline

Definition at line 39 of file gnode.h.

MakeHuffTree()

void votca::xtp::GNode::MakeHuffTree

(

)

Definition at line 48 of file gnode.cc.

moveProbabilities()

void votca::xtp::GNode::moveProbabilities ( Index id )

private

OccupationTime()

double votca::xtp::GNode::OccupationTime ( ) const

inline

Definition at line 48 of file gnode.h.

organizeProbabilities()

void votca::xtp::GNode::organizeProbabilities ( Index id, double add )

private

setOccupation()

void votca::xtp::GNode::setOccupation ( bool occupied )

inline

Definition at line 40 of file gnode.h.

UpdateOccupationTime()

void votca::xtp::GNode::UpdateOccupationTime ( double deltat )

inline

Definition at line 45 of file gnode.h.

Member Data Documentation

escape_rate_

double votca::xtp::GNode::escape_rate_ = 0.0

private

Definition at line 65 of file gnode.h.

events_

std::vector<GLink> votca::xtp::GNode::events_

private

Definition at line 70 of file gnode.h.

hasdecay_

bool votca::xtp::GNode::hasdecay_ = false

private

Definition at line 66 of file gnode.h.

hTree

huffmanTree<GLink> votca::xtp::GNode::hTree

private

Definition at line 72 of file gnode.h.

id_

Index votca::xtp::GNode::id_ = 0

private

Definition at line 62 of file gnode.h.

injectable_

bool votca::xtp::GNode::injectable_ = true

private

Definition at line 69 of file gnode.h.

occupationtime_

double votca::xtp::GNode::occupationtime_ = 0.0

private

Definition at line 64 of file gnode.h.

occupied_

bool votca::xtp::GNode::occupied_ = false

private

Definition at line 63 of file gnode.h.

position_

Eigen::Vector3d votca::xtp::GNode::position_

private

Definition at line 68 of file gnode.h.

siteenergy_

double votca::xtp::GNode::siteenergy_

private

Definition at line 67 of file gnode.h.

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

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