OpenMD 3.0
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
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 76 of file SC.hpp.

Constructor & Destructor Documentation

◆ SC()

OpenMD::SC::SC ( )

Definition at line 56 of file SC.cpp.

◆ ~SC()

OpenMD::SC::~SC ( )

Definition at line 58 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 210 of file SC.cpp.

◆ addType()

void OpenMD::SC::addType ( AtomType * atomType)

Definition at line 129 of file SC.cpp.

◆ calcDensity()

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

Implements OpenMD::MetallicInteraction.

Definition at line 262 of file SC.cpp.

◆ calcForce()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 298 of file SC.cpp.

◆ calcFunctional()

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

Implements OpenMD::MetallicInteraction.

Definition at line 280 of file SC.cpp.

◆ getHash()

virtual int OpenMD::SC::getHash ( )
inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 93 of file SC.hpp.

◆ getName()

virtual string OpenMD::SC::getName ( )
inlinevirtual

Implements OpenMD::NonBondedInteraction.

Definition at line 92 of file SC.hpp.

◆ getSuggestedCutoffRadius()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 350 of file SC.cpp.

◆ setForceField()

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

Definition at line 80 of file SC.hpp.

◆ setSimulatedAtomTypes()

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

Definition at line 81 of file SC.hpp.


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