The InteratomicForce class calculates forces between atoms. More...

Inheritance diagram for ThreeParticleForce:

Public Member Functions
	ThreeParticleForce ()

virtual void	calculateAndApplyForce (Atom atom1, Atom atom2, Atom *atom3)=0

virtual void	calculateAndApplyForce (Atom atom1, Atom atom2, Atom *atom3, const Vector3 &atom2Offset, const Vector3 &atom3Offset)=0

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)

Detailed Description

The InteratomicForce class calculates forces between atoms.

The ThreeParticleForce class is the base class for three-particle forces and potentials.

Constructor & Destructor Documentation

ThreeParticleForce::ThreeParticleForce ( )

void ThreeParticleForce::calculateAndApplyForce	(	Atom *	atom1,
		Atom *	atom2,
		Atom *	atom3
	)

pure virtual

virtual void ThreeParticleForce::calculateAndApplyForce	(	Atom *	atom1,
		Atom *	atom2,
		Atom *	atom3,
		const Vector3 &	atom2Offset,
		const Vector3 &	atom3Offset
	)

pure virtual

double ThreeParticleForce::cutoffRadius ( ) const

bool ThreeParticleForce::isCalculatePotentialEnabled ( )

inline

bool ThreeParticleForce::isCalculatePressureEnabled ( )

inline

bool ThreeParticleForce::isNewtonsThirdLawEnabled ( )

inline

void ThreeParticleForce::setCalculatePotentialEnabled ( bool enable)

inline

void ThreeParticleForce::setCalculatePressureEnabled ( bool enable)

inline

void ThreeParticleForce::setCutoffRadius ( double cutoffRadius)

void ThreeParticleForce::setNewtonsThirdLawEnabled ( bool enable)

inline

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

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