OpenMD::LJ Class Reference

Inheritance diagram for OpenMD::LJ:

Public Member Functions
void	setForceField (ForceField *ff)
void	setSimulatedAtomTypes (AtomTypeSet &simtypes)
void	addType (AtomType *atomType)
void	addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType sigma, RealType epsilon)
virtual void	calcForce (InteractionData &idat)
virtual string	getName ()
virtual int	getHash ()
virtual RealType	getSuggestedCutoffRadius (pair< AtomType *, AtomType * > atypes)
Public Member Functions inherited from OpenMD::VanDerWaalsInteraction
virtual InteractionFamily	getFamily ()

Detailed Description

Definition at line 62 of file LJ.hpp.

Constructor & Destructor Documentation

LJ()

OpenMD::LJ::LJ

(

)

Definition at line 57 of file LJ.cpp.

Member Function Documentation

addExplicitInteraction()

void OpenMD::LJ::addExplicitInteraction	(	AtomType *	atype1,
		AtomType *	atype2,
		RealType	sigma,
		RealType	epsilon )

Definition at line 207 of file LJ.cpp.

addType()

void OpenMD::LJ::addType

(

AtomType *

atomType

)

Definition at line 158 of file LJ.cpp.

calcForce()

void OpenMD::LJ::calcForce ( InteractionData & idat )

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 253 of file LJ.cpp.

getHash()

virtual int OpenMD::LJ::getHash ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 75 of file LJ.hpp.

getName()

virtual string OpenMD::LJ::getName ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 74 of file LJ.hpp.

getSuggestedCutoffRadius()

RealType OpenMD::LJ::getSuggestedCutoffRadius ( pair< AtomType *, AtomType * > atypes )

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 314 of file LJ.cpp.

setForceField()

void OpenMD::LJ::setForceField ( ForceField * ff )

inline

Definition at line 65 of file LJ.hpp.

setSimulatedAtomTypes()

void OpenMD::LJ::setSimulatedAtomTypes ( AtomTypeSet & simtypes )

inline

Definition at line 66 of file LJ.hpp.

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

• nonbonded/LJ.hpp
• nonbonded/LJ.cpp