glotzmc::DoubleWellPotential Class Reference

#include <DoubleWellPotential.h>

Inheritance diagram for glotzmc::DoubleWellPotential:

List of all members.

Public Member Functions
void	ComputeForce (const double &, const Vector< double, 3 > &, Vector< double, 3 > &, double &, double &)
void	ComputeShiftedForce (const double &, const double &, const Vector< double, 3 > &, Vector< double, 3 > &, double &, double &)
void	ComputePotential (const double &, double &)
DoubleWellPotential *	Clone ()
	Clone Constructor.
void	Initialize ()
void	SetBarrierPosition (double)
void	SetBarrierHeight (double)
void	SetBarrierWidth (double)
double	GetBarrierPosition ()
double	GetBarrierHeight ()
double	GetBarrierWidth ()
	DoubleWellPotential ()
	~DoubleWellPotential ()
void	PrintRestartData (std::ostream &)
void	ScanRestartData (std::istream &)
void	ComputeForce (const gfloat &, const gvector &, gvector &, gfloat &, gfloat &)
void	ComputeShiftedForce (const gfloat &, const gfloat &, const gvector &, gvector &, gfloat &, gfloat &)
void	ComputePotential (const gfloat &, gfloat &)
DoubleWellPotential *	Clone ()
	Clone Constructor.
void	Initialize ()
void	SetBarrierPosition (gfloat)
void	SetBarrierHeight (gfloat)
void	SetBarrierWidth (gfloat)
gfloat	GetBarrierPosition ()
gfloat	GetBarrierHeight ()
gfloat	GetBarrierWidth ()
	DoubleWellPotential ()
	~DoubleWellPotential ()
void	PrintRestartData (std::ostream &)
void	ScanRestartData (std::istream &)
Private Attributes
double	mInvBarrierWidthSq
double	mBarrierWidth
double	mBarrierHeight
double	mBarrierHeightTimes4
double	mBarrierPosition
gfloat	mInvBarrierWidthSq
gfloat	mBarrierWidth
gfloat	mBarrierHeight
gfloat	mBarrierHeightTimes4
gfloat	mBarrierPosition

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Constructor & Destructor Documentation

glotzmc::DoubleWellPotential::DoubleWellPotential

(

)

glotzmc::DoubleWellPotential::~DoubleWellPotential

(

)

glotzmc::DoubleWellPotential::DoubleWellPotential

(

)

glotzmc::DoubleWellPotential::~DoubleWellPotential

(

)

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Member Function Documentation

void glotzmc::DoubleWellPotential::ComputeForce	(	const double &	r2,
		const Vector< double, 3 > &	rij,
		Vector< double, 3 > &	force,
		double &	potential,
		double &	virial
	)			[inline, virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ComputeShiftedForce	(	const double &	r2,
		const double &	shift,
		const Vector< double, 3 > &	rij,
		Vector< double, 3 > &	force,
		double &	potential,
		double &	virial
	)			[inline, virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ComputePotential	(	const double &	r2,
		double &	potential
	)			[inline, virtual]

Implements glotzmc::Potential.

DoubleWellPotential * glotzmc::DoubleWellPotential::Clone

(

)

[virtual]

Clone Constructor.

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::Initialize

(

)

void glotzmc::DoubleWellPotential::SetBarrierPosition

(

double

pos

)

void glotzmc::DoubleWellPotential::SetBarrierHeight

(

double

height

)

void glotzmc::DoubleWellPotential::SetBarrierWidth

(

double

width

)

double glotzmc::DoubleWellPotential::GetBarrierPosition

(

)

double glotzmc::DoubleWellPotential::GetBarrierHeight

(

)

double glotzmc::DoubleWellPotential::GetBarrierWidth

(

)

void glotzmc::DoubleWellPotential::PrintRestartData

(

std::ostream &

os

)

[virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ScanRestartData

(

std::istream &

is

)

[virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ComputeForce	(	const gfloat &	r2,
		const gvector &	rij,
		gvector &	force,
		gfloat &	potential,
		gfloat &	virial
	)			[inline, virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ComputeShiftedForce	(	const gfloat &	r2,
		const gfloat &	shift,
		const gvector &	rij,
		gvector &	force,
		gfloat &	potential,
		gfloat &	virial
	)			[inline, virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ComputePotential	(	const gfloat &	,
		gfloat &
	)			[inline, virtual]

Implements glotzmc::Potential.

DoubleWellPotential* glotzmc::DoubleWellPotential::Clone

(

)

[virtual]

Clone Constructor.

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::Initialize

(

)

void glotzmc::DoubleWellPotential::SetBarrierPosition

(

gfloat

)

void glotzmc::DoubleWellPotential::SetBarrierHeight

(

gfloat

)

void glotzmc::DoubleWellPotential::SetBarrierWidth

(

gfloat

)

gfloat glotzmc::DoubleWellPotential::GetBarrierPosition

(

)

gfloat glotzmc::DoubleWellPotential::GetBarrierHeight

(

)

gfloat glotzmc::DoubleWellPotential::GetBarrierWidth

(

)

void glotzmc::DoubleWellPotential::PrintRestartData

(

std::ostream &

)

[virtual]

Implements glotzmc::Potential.

void glotzmc::DoubleWellPotential::ScanRestartData

(

std::istream &

)

[virtual]

Implements glotzmc::Potential.

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Member Data Documentation

double glotzmc::DoubleWellPotential::mInvBarrierWidthSq [private]

double glotzmc::DoubleWellPotential::mBarrierWidth [private]

double glotzmc::DoubleWellPotential::mBarrierHeight [private]

double glotzmc::DoubleWellPotential::mBarrierHeightTimes4 [private]

double glotzmc::DoubleWellPotential::mBarrierPosition [private]

gfloat glotzmc::DoubleWellPotential::mInvBarrierWidthSq [private]

gfloat glotzmc::DoubleWellPotential::mBarrierWidth [private]

gfloat glotzmc::DoubleWellPotential::mBarrierHeight [private]

gfloat glotzmc::DoubleWellPotential::mBarrierHeightTimes4 [private]

gfloat glotzmc::DoubleWellPotential::mBarrierPosition [private]

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

• Glotzilla/src/glotzmc/trunk/SourceCode/DoubleWellPotential.h
• Glotzilla/src/glotzmc/trunk/SourceCode/MCBuilder.xcodeproj/DoubleWellPotential.h
• Glotzilla/src/glotzmc/trunk/SourceCode/DoubleWellPotential.cpp

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