OpenMD::SC Class Reference

Inheritance diagram for OpenMD::SC:

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

Detailed Description

Definition at line 79 of file SC.hpp.

Constructor & Destructor Documentation

SC()

OpenMD::SC::SC

(

)

Definition at line 59 of file SC.cpp.

~SC()

OpenMD::SC::~SC

(

)

Definition at line 61 of file SC.cpp.

Member Function Documentation

addExplicitInteraction()

void OpenMD::SC::addExplicitInteraction	(	AtomType *	atype1,
		AtomType *	atype2,
		RealType	epsilon,
		RealType	m,
		RealType	n,
		RealType	alpha )

Definition at line 213 of file SC.cpp.

addType()

void OpenMD::SC::addType

(

AtomType *

atomType

)

Definition at line 132 of file SC.cpp.

calcDensity()

void OpenMD::SC::calcDensity ( InteractionData & idat )

virtual

Implements OpenMD::MetallicInteraction.

Definition at line 265 of file SC.cpp.

calcForce()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 301 of file SC.cpp.

calcFunctional()

void OpenMD::SC::calcFunctional ( SelfData & sdat )

virtual

Implements OpenMD::MetallicInteraction.

Definition at line 283 of file SC.cpp.

getHash()

virtual int OpenMD::SC::getHash ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 96 of file SC.hpp.

getName()

virtual string OpenMD::SC::getName ( )

inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 95 of file SC.hpp.

getSuggestedCutoffRadius()

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

virtual

Implements OpenMD::NonBondedInteraction.

Definition at line 353 of file SC.cpp.

setForceField()

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

inline

Definition at line 83 of file SC.hpp.

setSimulatedAtomTypes()

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

inline

Definition at line 84 of file SC.hpp.

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

• nonbonded/SC.hpp
• nonbonded/SC.cpp