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

#include <LennardJonesInteractionType.hpp>

Inheritance diagram for OpenMD::LennardJonesInteractionType:
OpenMD::NonBondedInteractionType

Public Member Functions

 LennardJonesInteractionType (RealType mySigma, RealType myEpsilon)
 
RealType getSigma ()
 
RealType getEpsilon ()
 
- 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
 

Additional Inherited Members

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

Detailed Description

LennardJonesInteractionType is one of the basic interaction types.

\[ V = 4 \epsilon \left(\left( \sigma/r \right)^{12} - \left( \sigma/r\right)^6\right) \]

Definition at line 56 of file LennardJonesInteractionType.hpp.

Constructor & Destructor Documentation

◆ LennardJonesInteractionType()

OpenMD::LennardJonesInteractionType::LennardJonesInteractionType ( RealType  mySigma,
RealType  myEpsilon 
)
inline

Member Function Documentation

◆ getEpsilon()

RealType OpenMD::LennardJonesInteractionType::getEpsilon ( )
inline

◆ getSigma()

RealType OpenMD::LennardJonesInteractionType::getSigma ( )
inline

Member Data Documentation

◆ epsilon

RealType OpenMD::LennardJonesInteractionType::epsilon
private

Definition at line 76 of file LennardJonesInteractionType.hpp.

Referenced by getEpsilon(), and LennardJonesInteractionType().

◆ sigma

RealType OpenMD::LennardJonesInteractionType::sigma
private

Definition at line 75 of file LennardJonesInteractionType.hpp.

Referenced by getSigma(), and LennardJonesInteractionType().


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