OpenMD::Morse Class Reference

Inheritance diagram for OpenMD::Morse:

Public Member Functions
void	setForceField (ForceField *ff)
void	setSimulatedAtomTypes (AtomTypeSet &simtypes)
void	addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType De, RealType Re, RealType beta, MorseType mt)
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 67 of file Morse.hpp.

Constructor & Destructor Documentation

Morse()

OpenMD::Morse::Morse

(

)

Definition at line 61 of file Morse.cpp.

Member Function Documentation

addExplicitInteraction()

void OpenMD::Morse::addExplicitInteraction	(	AtomType *	atype1,
		AtomType *	atype2,
		RealType	De,
		RealType	Re,
		RealType	beta,
		MorseType	mt )

Definition at line 127 of file Morse.cpp.

calcForce()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 172 of file Morse.cpp.

getHash()

virtual int OpenMD::Morse::getHash ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 79 of file Morse.hpp.

getName()

virtual string OpenMD::Morse::getName ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 78 of file Morse.hpp.

getSuggestedCutoffRadius()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 260 of file Morse.cpp.

setForceField()

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

inline

Definition at line 70 of file Morse.hpp.

setSimulatedAtomTypes()

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

inline

Definition at line 71 of file Morse.hpp.

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

• nonbonded/Morse.hpp
• nonbonded/Morse.cpp