OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::BondType Class Referenceabstract

#include "types/BondType.hpp"

Inheritance diagram for OpenMD::BondType:
OpenMD::CubicBondType OpenMD::FixedBondType OpenMD::HarmonicBondType OpenMD::MorseBondType OpenMD::PolynomialBondType OpenMD::QuarticBondType OpenMD::ShiftedMieBondType

Public Member Functions

 BondType (RealType myR0)
virtual ~BondType ()
virtual void calcForce (RealType r, RealType &V, RealType &dVdr)=0
RealType getEquilibriumBondLength ()
void setEquilibriumBondLength (RealType myR0)

Protected Attributes

RealType r0

Detailed Description

BondType class is responsible for calculating the force and energy of the bond

Definition at line 62 of file BondType.hpp.

Constructor & Destructor Documentation

◆ BondType()

OpenMD::BondType::BondType ( RealType  myR0)

Definition at line 64 of file BondType.hpp.

◆ ~BondType()

virtual OpenMD::BondType::~BondType ( )

Definition at line 65 of file BondType.hpp.

References calcForce().

Member Function Documentation

◆ calcForce()

virtual void OpenMD::BondType::calcForce ( RealType  r,
RealType &  V,
RealType &  dVdr 
pure virtual

◆ getEquilibriumBondLength()

RealType OpenMD::BondType::getEquilibriumBondLength ( )

◆ setEquilibriumBondLength()

void OpenMD::BondType::setEquilibriumBondLength ( RealType  myR0)

Member Data Documentation

◆ r0

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