glotzmd::GeneralLjPotential Class Reference
[Molecular Dynamics]

#include <GeneralLjPotential.h>

Inheritance diagram for glotzmd::GeneralLjPotential:

List of all members.

Public Member Functions
	GeneralLjPotential ()
	GeneralLjPotential (const glotz_flt)
GeneralLjPotential *	Clone ()
	Clone constructor.
	~GeneralLjPotential ()
void	Initialize ()
void	ComputeForce (InteractingObject *const, InteractingObject *const, const glotz_vec &, const glotz_flt)
void	ComputeShiftedForce (InteractingObject *const, InteractingObject *const, const glotz_vec &, const glotz_flt, const glotz_flt)
void	SetEpsilon (const glotz_flt)
void	SetSigma (const glotz_flt)
void	SetCutoff (const glotz_flt)
void	SetPower (const glotz_flt)
glotz_flt	GetEpsilon () const
glotz_flt	GetSigma () const
glotz_flt	GetPower () const
glotz_flt	GetForceShift () const
glotz_flt	GetPotentialShift () const
glotz_flt	GetCutoff () const
	Gets the interaction cutoff.
glotz_flt	GetOverlapCutoff () const
	Gets the overlap cutoff.
Protected Attributes
glotz_flt	mEpsilon
glotz_flt	mSigma
glotz_flt	mFshift
glotz_flt	mPshift
glotz_flt	mPow1
glotz_flt	mPow2
glotz_flt	mSigmaPow1f
glotz_flt	mSigmaPow2f
glotz_flt	mSigmaPow1
glotz_flt	mSigmaPow2
glotz_flt	mCutoff
glotz_flt	mCutoffSq

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Detailed Description

Author:

Tony Sheh

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Constructor & Destructor Documentation

glotzmd::GeneralLjPotential::GeneralLjPotential

(

)

glotzmd::GeneralLjPotential::GeneralLjPotential

(

const

glotz_flt

)

glotzmd::GeneralLjPotential::~GeneralLjPotential

(

)

[inline]

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Member Function Documentation

GeneralLjPotential * glotzmd::GeneralLjPotential::Clone

(

)

[virtual]

Clone constructor.

Reimplemented from glotzmd::Potential.

void glotzmd::GeneralLjPotential::Initialize

(

)

void glotzmd::GeneralLjPotential::ComputeForce	(	InteractingObject * const	obj1,
		InteractingObject * const	obj2,
		const glotz_vec &	rij,
		const	glotz_flt
	)			[inline, virtual]

Implements glotzmd::Potential.

void glotzmd::GeneralLjPotential::ComputeShiftedForce	(	InteractingObject * const	obj1,
		InteractingObject * const	obj2,
		const glotz_vec &	rij,
		const	glotz_flt,
		const	glotz_flt
	)			[inline, virtual]

Implements glotzmd::Potential.

void glotzmd::GeneralLjPotential::SetEpsilon

(

const

glotz_flt

)

void glotzmd::GeneralLjPotential::SetSigma

(

const

glotz_flt

)

void glotzmd::GeneralLjPotential::SetCutoff

(

const

glotz_flt

)

void glotzmd::GeneralLjPotential::SetPower

(

const

glotz_flt

)

glotz_flt glotzmd::GeneralLjPotential::GetEpsilon

(

)

const

glotz_flt glotzmd::GeneralLjPotential::GetSigma

(

)

const

glotz_flt glotzmd::GeneralLjPotential::GetPower

(

)

const

glotz_flt glotzmd::GeneralLjPotential::GetForceShift

(

)

const

glotz_flt glotzmd::GeneralLjPotential::GetPotentialShift

(

)

const

glotz_flt glotzmd::GeneralLjPotential::GetCutoff

(

)

const [virtual]

Gets the interaction cutoff.

Returns:

the potential cutoff

Note:

if no cutoff is defined by the inherited potential default the cutoff is 1e6

Reimplemented from glotzmd::Potential.

glotz_flt glotzmd::GeneralLjPotential::GetOverlapCutoff

(

)

const [virtual]

Gets the overlap cutoff.

This function is used in interpolation

Returns:

the overlap cutoff

Note:

if no overlap cutoff is defined, will return 0.0.

Reimplemented from glotzmd::Potential.

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Member Data Documentation

glotz_flt glotzmd::GeneralLjPotential::mEpsilon [protected]

glotz_flt glotzmd::GeneralLjPotential::mSigma [protected]

glotz_flt glotzmd::GeneralLjPotential::mFshift [protected]

glotz_flt glotzmd::GeneralLjPotential::mPshift [protected]

glotz_flt glotzmd::GeneralLjPotential::mPow1 [protected]

glotz_flt glotzmd::GeneralLjPotential::mPow2 [protected]

glotz_flt glotzmd::GeneralLjPotential::mSigmaPow1f [protected]

glotz_flt glotzmd::GeneralLjPotential::mSigmaPow2f [protected]

glotz_flt glotzmd::GeneralLjPotential::mSigmaPow1 [protected]

glotz_flt glotzmd::GeneralLjPotential::mSigmaPow2 [protected]

glotz_flt glotzmd::GeneralLjPotential::mCutoff [protected]

glotz_flt glotzmd::GeneralLjPotential::mCutoffSq [protected]

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

• Glotzilla/src/glotzmd/trunk/SourceCode/GeneralLjPotential.h
• Glotzilla/src/glotzmd/trunk/SourceCode/GeneralLjPotential.cpp

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