OpenMD::CosineSeriesBendType Class Reference

A bend used primarily in UFF that utilizes a Fourier series in terms of the cosine of the bend angle: More...

#include <CosineSeriesBendType.hpp>

Inheritance diagram for OpenMD::CosineSeriesBendType:

Public Member Functions
	CosineSeriesBendType (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 bend used primarily in UFF that utilizes a Fourier series in terms of the cosine of the bend angle:

\[ Vbend = k \left[ C_0 + C_1 \cos(\theta) + C_2 \cos(2 \theta) \right] \]

Definition at line 60 of file CosineSeriesBendType.hpp.

Constructor & Destructor Documentation

CosineSeriesBendType()

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

inline

Definition at line 62 of file CosineSeriesBendType.hpp.

Member Function Documentation

calcForce()

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

inlinevirtual

Implements OpenMD::BendType.

Definition at line 74 of file CosineSeriesBendType.hpp.

getForceConstant()

RealType OpenMD::CosineSeriesBendType::getForceConstant ( )

inline

Definition at line 72 of file CosineSeriesBendType.hpp.

setForceConstant()

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

inline

Definition at line 70 of file CosineSeriesBendType.hpp.

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

• types/CosineSeriesBendType.hpp