child of PAPRECA::Reaction dedicated to bond-breaking events. More...

#include <event.h>

Inheritance diagram for PAPRECA::BondBreak:

Collaboration diagram for PAPRECA::BondBreak:

[legend]

Public Member Functions
	BondBreak (const double &rate_in, const LAMMPS_NS::tagint &atom1id_in, const LAMMPS_NS::tagint &atom2id_in, const int &bond_type_in, PredefinedReaction *break_teamplate_in)

	~BondBreak ()

PredefinedReaction *	getBreakTemplate ()

Public Member Functions inherited from PAPRECA::Reaction
	Reaction (const double &rate_in, const LAMMPS_NS::tagint &atom1id_in, const LAMMPS_NS::tagint &atom2id_in, const int &bond_type_in)

	~Reaction ()

const LAMMPS_NS::tagint &	getAtom1ID () const

const LAMMPS_NS::tagint &	getAtom2ID () const

const int &	getBondType () const

void	initialize (const LAMMPS_NS::tagint &atom1id_in, const LAMMPS_NS::tagint &atom2id_in, const int &bond_type_in, const double &rate_in)

void	resetEvent ()

void	assignAtom1 (const LAMMPS_NS::tagint &atom1id_in)

void	assignAtom2 (const LAMMPS_NS::tagint &atom2id_in)

void	assignBondType (const int &bond_type_ind)

Public Member Functions inherited from PAPRECA::Event
	Event ()

	Event (const double &rate_in, const std::string &type_in)

virtual	~Event ()

void	assignRate (const double &rate_in)

void	assignType (const std::string &type_in)

const double &	getRate () const

void	setRate (const double &rate_in)

const std::string &	getType () const

Additional Inherited Members
Static Public Member Functions inherited from PAPRECA::Event
static void	fillRatesArr (double event_rates, const std::vector< Event > &events)

static void	fillRatesVec (std::vector< double > &event_rates, const std::vector< Event * > &events)

static std::vector< double >	getRatesVec (const std::vector< Event * > &events)

static double	getSumOfRates (const std::vector< Event * > &events)

static void	deleteAndClearLocalEvents (LAMMPS_NS::LAMMPS lmp, std::vector< Event > &events_local)

Protected Attributes inherited from PAPRECA::Reaction
LAMMPS_NS::tagint	atom1id = -1

LAMMPS_NS::tagint	atom2id = -2

int	bond_type = -3

Protected Attributes inherited from PAPRECA::Event
double	rate

std::string	type

Detailed Description

child of PAPRECA::Reaction dedicated to bond-breaking events.

Constructor & Destructor Documentation

PAPRECA::BondBreak::BondBreak	(	const double &	rate_in,
		const LAMMPS_NS::tagint &	atom1id_in,
		const LAMMPS_NS::tagint &	atom2id_in,
		const int &	bond_type_in,
		PredefinedReaction *	break_teamplate_in
	)

PAPRECA::BondBreak::~BondBreak ( )

PredefinedReaction * PAPRECA::BondBreak::getBreakTemplate ( )

PredefinedReaction* PAPRECA::BondBreak::break_template = NULL

private

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