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

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

#include <RepulsivePowerInteractionType.hpp>

+ Inheritance diagram for OpenMD::RepulsivePowerInteractionType:

Public Member Functions

 RepulsivePowerInteractionType (RealType mySigma, RealType myEpsilon, int myNrep)
 
RealType getSigma ()
 
RealType getEpsilon ()
 
int getNrep ()
 
- 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

RepulsivePowerInteractionType is one of the basic interaction types.

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

Definition at line 57 of file RepulsivePowerInteractionType.hpp.

Constructor & Destructor Documentation

◆ RepulsivePowerInteractionType()

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

Definition at line 59 of file RepulsivePowerInteractionType.hpp.

Member Function Documentation

◆ getEpsilon()

RealType OpenMD::RepulsivePowerInteractionType::getEpsilon ( )
inline

Definition at line 69 of file RepulsivePowerInteractionType.hpp.

◆ getNrep()

int OpenMD::RepulsivePowerInteractionType::getNrep ( )
inline

Definition at line 71 of file RepulsivePowerInteractionType.hpp.

◆ getSigma()

RealType OpenMD::RepulsivePowerInteractionType::getSigma ( )
inline

Definition at line 67 of file RepulsivePowerInteractionType.hpp.


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