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

InversePowerSeriesInteractionType is a sum of powers in the inverse of r: More...

#include <InversePowerSeriesInteractionType.hpp>

+ Inheritance diagram for OpenMD::InversePowerSeriesInteractionType:

Public Member Functions

 InversePowerSeriesInteractionType (std::vector< std::pair< int, RealType > > series)
 
std::vector< int > getPowers ()
 
std::vector< RealType > getCoefficients ()
 
- 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

InversePowerSeriesInteractionType is a sum of powers in the inverse of r:

\[ V = \sum_n c_n / r^{n} \]

Definition at line 57 of file InversePowerSeriesInteractionType.hpp.

Constructor & Destructor Documentation

◆ InversePowerSeriesInteractionType()

OpenMD::InversePowerSeriesInteractionType::InversePowerSeriesInteractionType ( std::vector< std::pair< int, RealType > > series)
inline

Definition at line 59 of file InversePowerSeriesInteractionType.hpp.

Member Function Documentation

◆ getCoefficients()

std::vector< RealType > OpenMD::InversePowerSeriesInteractionType::getCoefficients ( )
inline

Definition at line 75 of file InversePowerSeriesInteractionType.hpp.

◆ getPowers()

std::vector< int > OpenMD::InversePowerSeriesInteractionType::getPowers ( )
inline

Definition at line 74 of file InversePowerSeriesInteractionType.hpp.


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