OpenMD::CubicBondType Class Reference

#include <CubicBondType.hpp>

Inheritance diagram for OpenMD::CubicBondType:

Public Member Functions
	CubicBondType (RealType r0, RealType k3, RealType k2, RealType k1, RealType k0)
void	setForceConstant (RealType k3, RealType k2, RealType k1, RealType k0)
void	getForceConstant (RealType &k3, RealType &k2, RealType &k1, RealType &k0)
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

Todo

document

Definition at line 62 of file CubicBondType.hpp.

Constructor & Destructor Documentation

CubicBondType()

OpenMD::CubicBondType::CubicBondType ( RealType r0, RealType k3, RealType k2, RealType k1, RealType k0 )

inline

Definition at line 64 of file CubicBondType.hpp.

Member Function Documentation

calcForce()

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

inlinevirtual

Implements OpenMD::BondType.

Definition at line 84 of file CubicBondType.hpp.

getForceConstant()

void OpenMD::CubicBondType::getForceConstant ( RealType & k3, RealType & k2, RealType & k1, RealType & k0 )

inline

Definition at line 76 of file CubicBondType.hpp.

setForceConstant()

void OpenMD::CubicBondType::setForceConstant ( RealType k3, RealType k2, RealType k1, RealType k0 )

inline

Definition at line 69 of file CubicBondType.hpp.

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

• types/CubicBondType.hpp