OpenMD::CosineBendType Class Reference

A simple harmonic bend using the cosine of the angle instead of the angle itself: More...

#include <CosineBendType.hpp>

Inheritance diagram for OpenMD::CosineBendType:

Public Member Functions
	CosineBendType (RealType theta, RealType k)
void	setForceConstant (RealType k)
RealType	getForceConstant ()
void	calcForce (RealType theta, RealType &V, RealType &dVdtheta)
Public Member Functions inherited from OpenMD::BendType
	BendType (RealType theta)
RealType	getTheta ()
void	setTheta (RealType theta)

Additional Inherited Members
Protected Attributes inherited from OpenMD::BendType
RealType	theta0_

Detailed Description

A simple harmonic bend using the cosine of the angle instead of the angle itself:

\[ V_\mathrm{bend} = (\cos(\theta) - \cos(\theta_0))^2 \]

Definition at line 65 of file CosineBendType.hpp.

Constructor & Destructor Documentation

CosineBendType()

OpenMD::CosineBendType::CosineBendType ( RealType theta, RealType k )

inline

Definition at line 67 of file CosineBendType.hpp.

Member Function Documentation

calcForce()

void OpenMD::CosineBendType::calcForce ( RealType theta, RealType & V, RealType & dVdtheta )

inlinevirtual

Implements OpenMD::BendType.

Definition at line 75 of file CosineBendType.hpp.

getForceConstant()

RealType OpenMD::CosineBendType::getForceConstant ( )

inline

Definition at line 73 of file CosineBendType.hpp.

setForceConstant()

void OpenMD::CosineBendType::setForceConstant ( RealType k )

inline

Definition at line 71 of file CosineBendType.hpp.

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

• types/CosineBendType.hpp