OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::LennardJonesInteractionType Class Reference

LennardJonesInteractionType is one of the basic interaction types. More...

#include <LennardJonesInteractionType.hpp>

+ Inheritance diagram for OpenMD::LennardJonesInteractionType:

Public Member Functions

 LennardJonesInteractionType (RealType mySigma, RealType myEpsilon)
 
RealType getSigma ()
 
RealType getEpsilon ()
 
- Public Member Functions inherited from OpenMD::NonBondedInteractionType
void setLennardJones ()
 
bool isLennardJones ()
 
void setMorse ()
 
bool isMorse ()
 
void setMAW ()
 
bool isMAW ()
 
void setEAMTable ()
 
bool isEAMTable ()
 
void setEAMZhou ()
 
bool isEAMZhou ()
 
void setEAMOxides ()
 
bool isEAMOxides ()
 
bool isSC ()
 
void setSC ()
 
bool isMetal ()
 
void setRepulsivePower ()
 
bool isRepulsivePower ()
 
void setMie ()
 
bool isMie ()
 
void setBuckingham ()
 
bool isBuckingham ()
 
void setInversePowerSeries ()
 
bool isInversePowerSeries ()
 
void setAtomTypes (std::pair< AtomType *, AtomType * > ats)
 
std::pair< AtomType *, AtomType * > getAtomTypes ()
 
void addProperty (std::shared_ptr< GenericData > genData)
 Adds property into property map.
 
void removeProperty (const std::string &propName)
 Removes property from PropertyMap by name.
 
std::vector< std::string > getPropertyNames ()
 Returns all names of properties.
 
std::vector< std::shared_ptr< GenericData > > getProperties ()
 Returns all of the properties in PropertyMap.
 
std::shared_ptr< GenericDatagetPropertyByName (const std::string &propName)
 Returns property.
 

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 58 of file LennardJonesInteractionType.hpp.

Constructor & Destructor Documentation

◆ LennardJonesInteractionType()

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

Definition at line 60 of file LennardJonesInteractionType.hpp.

Member Function Documentation

◆ getEpsilon()

RealType OpenMD::LennardJonesInteractionType::getEpsilon ( )
inline

Definition at line 68 of file LennardJonesInteractionType.hpp.

◆ getSigma()

RealType OpenMD::LennardJonesInteractionType::getSigma ( )
inline

Definition at line 66 of file LennardJonesInteractionType.hpp.


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