PAPRECA::PredefinedDiffusionHop Class Reference

class associated with diffusion events. This is a Predefined template for PAPRECA::DiffusionHop events. More...

#include <event_list.h>

Public Member Functions
	PredefinedDiffusionHop (const int &parent_type_in, const double &insertion_vel_in, const double &diffusion_dist_in, const double &rate_in, const std::string &custom_style_in, const std::vector< int > &style_atomtypes_in)
	PredefinedDiffusionHop (const int &parent_type_in, const double &insertion_vel_in, const double &diffusion_dist_in, const double &rate_in, const std::string &custom_style_in, const std::vector< int > &style_atomtypes_in, const int &diffused_type_in, const bool &is_displacive_in)
	~PredefinedDiffusionHop ()
const int &	getParentAtomType () const
const double &	getInsertionVel () const
const int &	getDiffusedAtomType () const
const bool &	isDisplacive () const
	Displacive events "move" the parent atom, while non-displacive events, create a new atom at the vacancy. More...
const double &	getDiffusionDist () const
const double &	getRate () const
const std::string &	getCustomStyle () const
const std::vector< int > &	getStyleAtomTypes () const

Private Attributes
int	parent_type = -1
	type of candidate parent atom. More...
double	insertion_vel = 0.0
	velocity of the displaced atom. More...
int	diffused_type = -2
	type of diffused atom. This can be the same as the parent type. Alternatively, it can be set to a different type if you want the atom type to change after diffusion. More...
bool	is_displacive = false
double	diffusion_dist = 0.0
std::string	custom_style = "NONE"
	displace atom by that much. More...
std::vector< int >	style_atomtypes
	vector that allows you to pass information about atom types from the PAPRECA input file. More...
double	rate = 0.0

Detailed Description

class associated with diffusion events. This is a Predefined template for PAPRECA::DiffusionHop events.

Constructor & Destructor Documentation

PredefinedDiffusionHop() [1/2]

PAPRECA::PredefinedDiffusionHop::PredefinedDiffusionHop	(	const int &	parent_type_in,
		const double &	insertion_vel_in,
		const double &	diffusion_dist_in,
		const double &	rate_in,
		const std::string &	custom_style_in,
		const std::vector< int > &	style_atomtypes_in
	)

PredefinedDiffusionHop() [2/2]

PAPRECA::PredefinedDiffusionHop::PredefinedDiffusionHop	(	const int &	parent_type_in,
		const double &	insertion_vel_in,
		const double &	diffusion_dist_in,
		const double &	rate_in,
		const std::string &	custom_style_in,
		const std::vector< int > &	style_atomtypes_in,
		const int &	diffused_type_in,
		const bool &	is_displacive_in
	)

~PredefinedDiffusionHop()

PAPRECA::PredefinedDiffusionHop::~PredefinedDiffusionHop

(

)

Member Function Documentation

getCustomStyle()

const std::string & PAPRECA::PredefinedDiffusionHop::getCustomStyle

(

)

const

getDiffusedAtomType()

const int & PAPRECA::PredefinedDiffusionHop::getDiffusedAtomType

(

)

const

getDiffusionDist()

const double & PAPRECA::PredefinedDiffusionHop::getDiffusionDist

(

)

const

getInsertionVel()

const double & PAPRECA::PredefinedDiffusionHop::getInsertionVel

(

)

const

getParentAtomType()

const int & PAPRECA::PredefinedDiffusionHop::getParentAtomType

(

)

const

getRate()

const double & PAPRECA::PredefinedDiffusionHop::getRate

(

)

const

getStyleAtomTypes()

const std::vector< int > & PAPRECA::PredefinedDiffusionHop::getStyleAtomTypes

(

)

const

isDisplacive()

const bool & PAPRECA::PredefinedDiffusionHop::isDisplacive

(

)

const

Displacive events "move" the parent atom, while non-displacive events, create a new atom at the vacancy.

Member Data Documentation

custom_style

std::string PAPRECA::PredefinedDiffusionHop::custom_style = "NONE"

private

displace atom by that much.

currently, only the Fe_4PO4neib style is an acceptable custom style for diffusion.

diffused_type

int PAPRECA::PredefinedDiffusionHop::diffused_type = -2

private

type of diffused atom. This can be the same as the parent type. Alternatively, it can be set to a different type if you want the atom type to change after diffusion.

diffusion_dist

double PAPRECA::PredefinedDiffusionHop::diffusion_dist = 0.0

private

insertion_vel

double PAPRECA::PredefinedDiffusionHop::insertion_vel = 0.0

private

velocity of the displaced atom.

is_displacive

bool PAPRECA::PredefinedDiffusionHop::is_displacive = false

private

parent_type

int PAPRECA::PredefinedDiffusionHop::parent_type = -1

private

type of candidate parent atom.

rate

double PAPRECA::PredefinedDiffusionHop::rate = 0.0

private

style_atomtypes

std::vector< int > PAPRECA::PredefinedDiffusionHop::style_atomtypes

private

vector that allows you to pass information about atom types from the PAPRECA input file.

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

• event_list.h
• event_list.cpp