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

#include "types/BendType.hpp"

Inheritance diagram for OpenMD::BendType:
OpenMD::CosineBendType OpenMD::CubicBendType OpenMD::HarmonicBendType OpenMD::PolynomialBendType OpenMD::QuarticBendType OpenMD::SDKBendType OpenMD::UreyBradleyBendType

Public Member Functions

 BendType (RealType theta)
virtual ~BendType ()
virtual void calcForce (RealType theta, RealType &V, RealType &dVdTheta)=0
RealType getTheta ()
void setTheta (RealType theta)

Protected Attributes

RealType theta0_

Detailed Description

Definition at line 59 of file BendType.hpp.

Constructor & Destructor Documentation

◆ BendType()

OpenMD::BendType::BendType ( RealType  theta)

Definition at line 61 of file BendType.hpp.

◆ ~BendType()

virtual OpenMD::BendType::~BendType ( )

Definition at line 62 of file BendType.hpp.

References calcForce().

Member Function Documentation

◆ calcForce()

virtual void OpenMD::BendType::calcForce ( RealType  theta,
RealType &  V,
RealType &  dVdTheta 
pure virtual

◆ getTheta()

RealType OpenMD::BendType::getTheta ( )

Definition at line 66 of file BendType.hpp.

References theta0_.

Referenced by OpenMD::operator<<().

◆ setTheta()

void OpenMD::BendType::setTheta ( RealType  theta)

Definition at line 70 of file BendType.hpp.

References theta0_.

Member Data Documentation

◆ theta0_

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