OpenMD 3.0
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
OpenMD::RepulsivePower Class Reference
+ Inheritance diagram for OpenMD::RepulsivePower:

Public Member Functions

void setForceField (ForceField *ff)
 
void setSimulatedAtomTypes (AtomTypeSet &simtypes)
 
void addExplicitInteraction (AtomType *atype1, AtomType *atype2, RealType sigma, RealType epsilon, int nRep)
 
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 63 of file RepulsivePower.hpp.

Constructor & Destructor Documentation

◆ RepulsivePower()

OpenMD::RepulsivePower::RepulsivePower ( )

Definition at line 58 of file RepulsivePower.cpp.

Member Function Documentation

◆ addExplicitInteraction()

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

Definition at line 137 of file RepulsivePower.cpp.

◆ calcForce()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 184 of file RepulsivePower.cpp.

◆ getHash()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 75 of file RepulsivePower.hpp.

◆ getName()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 74 of file RepulsivePower.hpp.

◆ getSuggestedCutoffRadius()

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

Implements OpenMD::NonBondedInteraction.

Definition at line 243 of file RepulsivePower.cpp.

◆ setForceField()

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

Definition at line 66 of file RepulsivePower.hpp.

◆ setSimulatedAtomTypes()

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

Definition at line 67 of file RepulsivePower.hpp.


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