glotzmc::BinaryLJ Class Reference

#include <BinaryLJ.h>

Inheritance diagram for glotzmc::BinaryLJ:

List of all members.

Public Member Functions
	BinaryLJ ()
	~BinaryLJ ()
Interaction *	Clone ()
void	ComputePotential (const McBead &, const McBead &, const double &, double &)
double	GetOverlapCutoffSq (const Bead &, const Bead &)
double	GetCutoffSq (const Bead &, const Bead &)
double	GetMaxCutoff ()
void	PrintRestartData (std::ostream &)
void	ScanRestartData (std::istream &)
	BinaryLJ ()
	~BinaryLJ ()
Interaction *	Clone ()
void	ComputeForce (MdBead &, MdBead &, gfloat &, gvector &)
void	ComputePotential (const McBead &, const McBead &, const gfloat &, gfloat &)
void	ComputeShiftedForce (MdBead &, MdBead &, gfloat &, gvector &)
gfloat	GetOverlapCutoffSq (const Bead &, const Bead &)
gfloat	GetCutoffSq (const Bead &, const Bead &)
gfloat	GetMaxCutoff ()
void	PrintRestartData (std::ostream &)
void	ScanRestartData (std::istream &)
Public Attributes
TwelveSixLjPotential	mAaInteraction
TwelveSixLjPotential	mAbInteraction
TwelveSixLjPotential	mBbInteraction
Private Types
enum	{ AA = 1, BB = 2, AB = 3 }
enum	{ AA = 1, BB = 2, AB = 3 }
Private Attributes
Vector< double, 3 >	mForce
double	mPotential
double	mVirial
gvector	mForce
gfloat	mPotential
gfloat	mVirial

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Member Enumeration Documentation

anonymous enum [private]

Enumerator:

AA
BB
AB

anonymous enum [private]

Enumerator:

AA
BB
AB

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Constructor & Destructor Documentation

glotzmc::BinaryLJ::BinaryLJ

(

)

glotzmc::BinaryLJ::~BinaryLJ

(

)

glotzmc::BinaryLJ::BinaryLJ

(

)

glotzmc::BinaryLJ::~BinaryLJ

(

)

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Member Function Documentation

Interaction* glotzmc::BinaryLJ::Clone

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::ComputePotential	(	const McBead &	beadI,
		const McBead &	beadJ,
		const double &	r2,
		double &	potential
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryLJ::GetOverlapCutoffSq	(	const Bead &	beadI,
		const Bead &	beadJ
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryLJ::GetCutoffSq	(	const Bead &	beadI,
		const Bead &	beadJ
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryLJ::GetMaxCutoff

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::PrintRestartData

(

std::ostream &

os

)

[virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::ScanRestartData

(

std::istream &

is

)

[virtual]

Reimplemented from glotzmc::Interaction.

Interaction* glotzmc::BinaryLJ::Clone

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::ComputeForce	(	MdBead &	beadI,
		MdBead &	beadJ,
		gfloat &	r2,
		gvector &	rij
	)			[inline, virtual]

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::ComputeShiftedForce	(	MdBead &	beadI,
		MdBead &	beadJ,
		gfloat &	r2,
		gvector &	rij
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryLJ::GetOverlapCutoffSq	(	const Bead &	,
		const Bead &
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryLJ::GetCutoffSq	(	const Bead &	,
		const Bead &
	)			[inline, virtual]

Implements glotzmc::Interaction.

gfloat glotzmc::BinaryLJ::GetMaxCutoff

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::PrintRestartData

(

std::ostream &

)

[virtual]

Implements glotzmc::Interaction.

void glotzmc::BinaryLJ::ScanRestartData

(

std::istream &

)

[virtual]

Reimplemented from glotzmc::Interaction.

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Member Data Documentation

TwelveSixLjPotential glotzmc::BinaryLJ::mAaInteraction

TwelveSixLjPotential glotzmc::BinaryLJ::mAbInteraction

TwelveSixLjPotential glotzmc::BinaryLJ::mBbInteraction

Vector<double, 3> glotzmc::BinaryLJ::mForce [private]

double glotzmc::BinaryLJ::mPotential [private]

double glotzmc::BinaryLJ::mVirial [private]

gvector glotzmc::BinaryLJ::mForce [private]

gfloat glotzmc::BinaryLJ::mPotential [private]

gfloat glotzmc::BinaryLJ::mVirial [private]

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

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

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