OpenMD::Mie Class Reference

Inheritance diagram for OpenMD::Mie:

Public Member Functions
void	setForceField (ForceField *ff)
void	setSimulatedAtomTypes (AtomTypeSet &simtypes)
void	addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType sigma, RealType epsilon, int nRep, int mAtt)
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 65 of file Mie.hpp.

Constructor & Destructor Documentation

Mie()

OpenMD::Mie::Mie

(

)

Definition at line 58 of file Mie.cpp.

Member Function Documentation

addExplicitInteraction()

void OpenMD::Mie::addExplicitInteraction	(	AtomType *	atype1,
		AtomType *	atype2,
		RealType	sigma,
		RealType	epsilon,
		int	nRep,
		int	mAtt )

Definition at line 135 of file Mie.cpp.

calcForce()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 188 of file Mie.cpp.

getHash()

virtual int OpenMD::Mie::getHash ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 78 of file Mie.hpp.

getName()

virtual string OpenMD::Mie::getName ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 77 of file Mie.hpp.

getSuggestedCutoffRadius()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 250 of file Mie.cpp.

setForceField()

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

inline

Definition at line 68 of file Mie.hpp.

setSimulatedAtomTypes()

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

inline

Definition at line 69 of file Mie.hpp.

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

• nonbonded/Mie.hpp
• nonbonded/Mie.cpp