OpenMD::Buckingham Class Reference

Inheritance diagram for OpenMD::Buckingham:

Public Member Functions
void	setForceField (ForceField *ff)
void	setSimulatedAtomTypes (AtomTypeSet &simtypes)
void	addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType A, RealType B, RealType C, BuckinghamType bt)
void	addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType A, RealType B, RealType C, RealType sigma, RealType epsilon, BuckinghamType bt)
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 69 of file Buckingham.hpp.

Constructor & Destructor Documentation

Buckingham()

OpenMD::Buckingham::Buckingham

(

)

Definition at line 61 of file Buckingham.cpp.

Member Function Documentation

addExplicitInteraction() [1/2]

void OpenMD::Buckingham::addExplicitInteraction	(	AtomType *	atype1,
		AtomType *	atype2,
		RealType	A,
		RealType	B,
		RealType	C,
		BuckinghamType	bt )

Definition at line 141 of file Buckingham.cpp.

addExplicitInteraction() [2/2]

void OpenMD::Buckingham::addExplicitInteraction	(	AtomType *	atype1,
		AtomType *	atype2,
		RealType	A,
		RealType	B,
		RealType	C,
		RealType	sigma,
		RealType	epsilon,
		BuckinghamType	bt )

Definition at line 164 of file Buckingham.cpp.

calcForce()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 190 of file Buckingham.cpp.

getHash()

virtual int OpenMD::Buckingham::getHash ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 84 of file Buckingham.hpp.

getName()

virtual string OpenMD::Buckingham::getName ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 83 of file Buckingham.hpp.

getSuggestedCutoffRadius()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 298 of file Buckingham.cpp.

setForceField()

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

inline

Definition at line 72 of file Buckingham.hpp.

setSimulatedAtomTypes()

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

inline

Definition at line 73 of file Buckingham.hpp.

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

• nonbonded/Buckingham.hpp
• nonbonded/Buckingham.cpp