OpenMD::HarmonicBondType Class Reference

HarmonicBondType is the basic OpenMD bond type. More...

#include <HarmonicBondType.hpp>

Inheritance diagram for OpenMD::HarmonicBondType:

Public Member Functions
	HarmonicBondType (RealType myR0, RealType myK)
void	setForceConstant (RealType myK)
RealType	getForceConstant ()
virtual void	calcForce (RealType r, RealType &V, RealType &dVdr)
Public Member Functions inherited from OpenMD::BondType
	BondType (RealType myR0)
RealType	getEquilibriumBondLength ()
void	setEquilibriumBondLength (RealType myR0)

Additional Inherited Members
Protected Attributes inherited from OpenMD::BondType
RealType	r0

Detailed Description

HarmonicBondType is the basic OpenMD bond type.

\[ V = 0.5* k(r -r_0)^2 \]

Definition at line 57 of file HarmonicBondType.hpp.

Constructor & Destructor Documentation

HarmonicBondType()

OpenMD::HarmonicBondType::HarmonicBondType ( RealType myR0, RealType myK )

inline

Definition at line 59 of file HarmonicBondType.hpp.

Member Function Documentation

calcForce()

virtual void OpenMD::HarmonicBondType::calcForce ( RealType r, RealType & V, RealType & dVdr )

inlinevirtual

Implements OpenMD::BondType.

Definition at line 65 of file HarmonicBondType.hpp.

getForceConstant()

RealType OpenMD::HarmonicBondType::getForceConstant ( )

inline

Definition at line 63 of file HarmonicBondType.hpp.

setForceConstant()

void OpenMD::HarmonicBondType::setForceConstant ( RealType myK )

inline

Definition at line 61 of file HarmonicBondType.hpp.

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

• types/HarmonicBondType.hpp