glotzmc::CustomInteraction Class Reference

#include <CustomInteraction.h>

Inheritance diagram for glotzmc::CustomInteraction:

List of all members.

Public Member Functions
	CustomInteraction ()
	~CustomInteraction ()
CustomInteraction *	Clone ()
void	SetInteraction (int, Potential *)
void	ComputePotential (const McBead &, const McBead &, const double &, double &)
double	GetOverlapCutoffSq (const Bead &, const Bead &)
double	GetCutoffSq (const Bead &, const Bead &)
double	GetMaxCutoff ()
void	PrintLammpsEquivalent (std::ostream &)
void	PrintRestartData (std::ostream &)
	CustomInteraction ()
	~CustomInteraction ()
CustomInteraction *	Clone ()
void	SetInteraction (int, Potential *)
void	ComputeForce (MdBead &, MdBead &, gfloat &, gvector &)
void	ComputeShiftedForce (MdBead &, MdBead &, gfloat &, gvector &)
void	ComputePotential (const McBead &, const McBead &, const gfloat &, gfloat &)
gfloat	GetOverlapCutoffSq (const Bead &, const Bead &)
gfloat	GetCutoffSq (const Bead &, const Bead &)
gfloat	GetMaxCutoff ()
void	PrintLammpsEquivalent (std::ostream &)
void	PrintRestartData (std::ostream &)
Public Attributes
Potential *	mAaInteraction
Potential *	mAbInteraction
Potential *	mBbInteraction
double	mAaOverlapCutoffSq
double	mAbOverlapCutoffSq
double	mBbOverlapCutoffSq
double	mAaCutoff
double	mAbCutoff
double	mBbCutoff
double	mMaxCutoff
Potential *	mAaInteraction
Potential *	mAbInteraction
Potential *	mBbInteraction
gfloat	mAaOverlapCutoffSq
gfloat	mAbOverlapCutoffSq
gfloat	mBbOverlapCutoffSq
gfloat	mAaCutoff
gfloat	mAbCutoff
gfloat	mBbCutoff
gfloat	mMaxCutoff
Private Types
enum	{ AA = (type::A | type::A), BB = (type::B | type::B), AB = (type::A | type::B) }
enum	{ AA = (type::A | type::A), BB = (type::B | type::B), AB = (type::A | type::B) }
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::CustomInteraction::CustomInteraction

(

)

glotzmc::CustomInteraction::~CustomInteraction

(

)

glotzmc::CustomInteraction::CustomInteraction

(

)

glotzmc::CustomInteraction::~CustomInteraction

(

)

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Member Function Documentation

CustomInteraction * glotzmc::CustomInteraction::Clone

(

)

[virtual]

Implements glotzmc::Interaction.

void glotzmc::CustomInteraction::SetInteraction	(	int	pair,
		Potential *	potentialFunction
	)

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

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

gfloat glotzmc::CustomInteraction::GetMaxCutoff

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::CustomInteraction::PrintLammpsEquivalent

(

std::ostream &

os

)

[virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::CustomInteraction::PrintRestartData

(

std::ostream &

os

)

[virtual]

Implements glotzmc::Interaction.

CustomInteraction* glotzmc::CustomInteraction::Clone

(

)

[virtual]

Implements glotzmc::Interaction.

void glotzmc::CustomInteraction::SetInteraction	(	int	,
		Potential *
	)

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

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

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

Implements glotzmc::Interaction.

gfloat glotzmc::CustomInteraction::GetMaxCutoff

(

)

[inline, virtual]

Implements glotzmc::Interaction.

void glotzmc::CustomInteraction::PrintLammpsEquivalent

(

std::ostream &

)

[virtual]

Reimplemented from glotzmc::Interaction.

void glotzmc::CustomInteraction::PrintRestartData

(

std::ostream &

)

[virtual]

Implements glotzmc::Interaction.

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Member Data Documentation

Potential* glotzmc::CustomInteraction::mAaInteraction

Potential* glotzmc::CustomInteraction::mAbInteraction

Potential* glotzmc::CustomInteraction::mBbInteraction

double glotzmc::CustomInteraction::mAaOverlapCutoffSq

double glotzmc::CustomInteraction::mAbOverlapCutoffSq

double glotzmc::CustomInteraction::mBbOverlapCutoffSq

double glotzmc::CustomInteraction::mAaCutoff

double glotzmc::CustomInteraction::mAbCutoff

double glotzmc::CustomInteraction::mBbCutoff

double glotzmc::CustomInteraction::mMaxCutoff

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

double glotzmc::CustomInteraction::mPotential [private]

double glotzmc::CustomInteraction::mVirial [private]

Potential* glotzmc::CustomInteraction::mAaInteraction

Potential* glotzmc::CustomInteraction::mAbInteraction

Potential* glotzmc::CustomInteraction::mBbInteraction

gfloat glotzmc::CustomInteraction::mAaOverlapCutoffSq

gfloat glotzmc::CustomInteraction::mAbOverlapCutoffSq

gfloat glotzmc::CustomInteraction::mBbOverlapCutoffSq

gfloat glotzmc::CustomInteraction::mAaCutoff

gfloat glotzmc::CustomInteraction::mAbCutoff

gfloat glotzmc::CustomInteraction::mBbCutoff

gfloat glotzmc::CustomInteraction::mMaxCutoff

gvector glotzmc::CustomInteraction::mForce [private]

gfloat glotzmc::CustomInteraction::mPotential [private]

gfloat glotzmc::CustomInteraction::mVirial [private]

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

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

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