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

#include <LennardJonesAdapter.hpp>

Public Member Functions

 LennardJonesAdapter (AtomType *AT)
 
void makeLennardJones (RealType sigma, RealType epsilon, bool isSoft)
 
bool isLennardJones ()
 
RealType getSigma ()
 
RealType getEpsilon ()
 
bool isSoft ()
 

Private Member Functions

LJAtypeParametersgetLJParam ()
 

Private Attributes

AtomTypeat_
 

Detailed Description

Definition at line 61 of file LennardJonesAdapter.hpp.

Constructor & Destructor Documentation

◆ LennardJonesAdapter()

OpenMD::LennardJonesAdapter::LennardJonesAdapter ( AtomType AT)
inline

Definition at line 63 of file LennardJonesAdapter.hpp.

References OpenMD::epsilon.

Member Function Documentation

◆ getEpsilon()

RealType OpenMD::LennardJonesAdapter::getEpsilon ( )

◆ getLJParam()

◆ getSigma()

◆ isLennardJones()

◆ isSoft()

bool OpenMD::LennardJonesAdapter::isSoft ( )

Definition at line 99 of file LennardJonesAdapter.cpp.

References getLJParam(), and OpenMD::LJAtypeParameters::isSoft.

Referenced by makeLennardJones().

◆ makeLennardJones()

Member Data Documentation

◆ at_

AtomType* OpenMD::LennardJonesAdapter::at_
private

Definition at line 72 of file LennardJonesAdapter.hpp.

Referenced by getLJParam(), isLennardJones(), and makeLennardJones().


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