OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::RepulsivePowerInteractionType Class Reference

#include <RepulsivePowerInteractionType.hpp>

Inheritance diagram for OpenMD::RepulsivePowerInteractionType:
OpenMD::NonBondedInteractionType

Public Member Functions

 RepulsivePowerInteractionType (RealType mySigma, RealType myEpsilon, int myNrep)
 
RealType getSigma ()
 
RealType getEpsilon ()
 
int getNrep ()
 
- Public Member Functions inherited from OpenMD::NonBondedInteractionType
 NonBondedInteractionType ()
 
virtual ~NonBondedInteractionType ()
 
void setLennardJones ()
 
bool isLennardJones ()
 
void setMorse ()
 
bool isMorse ()
 
void setMAW ()
 
bool isMAW ()
 
void setEAMTable ()
 
bool isEAMTable ()
 
void setEAMZhou ()
 
bool isEAMZhou ()
 
bool isSC ()
 
void setSC ()
 
bool isMetal ()
 
void setRepulsivePower ()
 
bool isRepulsivePower ()
 
void setMie ()
 
bool isMie ()
 
void setBuckingham ()
 
bool isBuckingham ()
 
void setAtomTypes (std::pair< AtomType *, AtomType *> ats)
 
std::pair< AtomType *, AtomType * > getAtomTypes ()
 
void addProperty (GenericData *genData)
 
void removeProperty (const std::string &propName)
 
void clearProperties ()
 
std::vector< std::string > getPropertyNames ()
 
std::vector< GenericData * > getProperties ()
 
GenericDatagetPropertyByName (const std::string &propName)
 

Private Attributes

RealType sigma
 
RealType epsilon
 
int nRep
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::NonBondedInteractionType
NonBondedInteractionTypeProperties nbitp
 
std::pair< AtomType *, AtomType * > atomTypes_
 

Detailed Description

RepulsivePowerInteractionType is one of the basic interaction types.

\[ V = \epsilon \left( \sigma/r \right)^{n}\]

Definition at line 55 of file RepulsivePowerInteractionType.hpp.

Constructor & Destructor Documentation

◆ RepulsivePowerInteractionType()

OpenMD::RepulsivePowerInteractionType::RepulsivePowerInteractionType ( RealType  mySigma,
RealType  myEpsilon,
int  myNrep 
)
inline

Member Function Documentation

◆ getEpsilon()

RealType OpenMD::RepulsivePowerInteractionType::getEpsilon ( )
inline

◆ getNrep()

int OpenMD::RepulsivePowerInteractionType::getNrep ( )
inline

◆ getSigma()

RealType OpenMD::RepulsivePowerInteractionType::getSigma ( )
inline

Member Data Documentation

◆ epsilon

RealType OpenMD::RepulsivePowerInteractionType::epsilon
private

Definition at line 80 of file RepulsivePowerInteractionType.hpp.

Referenced by getEpsilon(), and RepulsivePowerInteractionType().

◆ nRep

int OpenMD::RepulsivePowerInteractionType::nRep
private

Definition at line 81 of file RepulsivePowerInteractionType.hpp.

Referenced by getNrep(), and RepulsivePowerInteractionType().

◆ sigma

RealType OpenMD::RepulsivePowerInteractionType::sigma
private

Definition at line 79 of file RepulsivePowerInteractionType.hpp.

Referenced by getSigma(), and RepulsivePowerInteractionType().


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