The LennardJonesForce class calculates the force and potential based on the Lennard-Jones potential. More...

Inheritance diagram for LennardJonesForce:

Collaboration diagram for LennardJonesForce:

Public Member Functions
	LennardJonesForce ()

virtual void	calculateAndApplyForce (Atom atom1, Atom atom2)

virtual void	calculateAndApplyForce (Atom atom1, Atom atom2, const Vector3 &atom2Offset)

void	setPotentialConstant (double potentialConstant)

void	setEnergyConstant (double energyConstant)

void	setShift (double shift)

Public Member Functions inherited from TwoParticleForce
	TwoParticleForce ()

void	setNewtonsThirdLawEnabled (bool enable)

bool	isNewtonsThirdLawEnabled ()

void	setCalculatePressureEnabled (bool enable)

bool	isCalculatePressureEnabled ()

void	setCalculatePotentialEnabled (bool enable)

bool	isCalculatePotentialEnabled ()

double	cutoffRadius () const

void	setCutoffRadius (double cutoffRadius)

Protected Attributes
Vector3	zeroVector

Vector3	tmpVector

double	m_potentialConstant

double	m_potentialConstantSquared

double	m_energyConstant

double	m_energyConstant4

double	m_energyConstant24

double	m_shift

double	m_shiftSquared

Detailed Description

The LennardJonesForce class calculates the force and potential based on the Lennard-Jones potential.

Constructor & Destructor Documentation

LennardJonesForce::LennardJonesForce ( )

void LennardJonesForce::calculateAndApplyForce	(	Atom *	atom1,
		Atom *	atom2
	)

virtual

Reimplemented from TwoParticleForce.

void LennardJonesForce::calculateAndApplyForce	(	Atom *	atom1,
		Atom *	atom2,
		const Vector3 &	atom2Offset
	)

virtual

void LennardJonesForce::setEnergyConstant ( double energyConstant)

void LennardJonesForce::setPotentialConstant ( double potentialConstant)

void LennardJonesForce::setShift ( double shift)

double LennardJonesForce::m_energyConstant

protected

double LennardJonesForce::m_energyConstant24

protected

double LennardJonesForce::m_energyConstant4

protected

double LennardJonesForce::m_potentialConstant

protected

double LennardJonesForce::m_potentialConstantSquared

protected

double LennardJonesForce::m_shift

protected

double LennardJonesForce::m_shiftSquared

protected

Vector3 LennardJonesForce::tmpVector

protected

Vector3 LennardJonesForce::zeroVector

protected

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

/home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/force/lennardjonesforce.h
/home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/force/lennardjonesforce.cpp