OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::HarmonicBendType Class Reference

#include <HarmonicBendType.hpp>

Inheritance diagram for OpenMD::HarmonicBendType:
OpenMD::BendType OpenMD::SDKBendType OpenMD::UreyBradleyBendType

Public Member Functions

 HarmonicBendType (RealType theta, RealType k)
 
void setForceConstant (RealType k)
 
RealType getForceConstant ()
 
void calcForce (RealType theta, RealType &V, RealType &dVdr)
 
- Public Member Functions inherited from OpenMD::BendType
 BendType (RealType theta)
 
virtual ~BendType ()
 
RealType getTheta ()
 
void setTheta (RealType theta)
 

Private Attributes

RealType k_
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::BendType
RealType theta0_
 

Detailed Description

Todo:
documentation

Definition at line 61 of file HarmonicBendType.hpp.

Constructor & Destructor Documentation

◆ HarmonicBendType()

OpenMD::HarmonicBendType::HarmonicBendType ( RealType  theta,
RealType  k 
)
inline

Definition at line 65 of file HarmonicBendType.hpp.

Member Function Documentation

◆ calcForce()

void OpenMD::HarmonicBendType::calcForce ( RealType  theta,
RealType &  V,
RealType &  dVdr 
)
inlinevirtual

Implements OpenMD::BendType.

Definition at line 72 of file HarmonicBendType.hpp.

References k_, and OpenMD::BendType::theta0_.

◆ getForceConstant()

RealType OpenMD::HarmonicBendType::getForceConstant ( )
inline

Definition at line 70 of file HarmonicBendType.hpp.

References k_.

◆ setForceConstant()

void OpenMD::HarmonicBendType::setForceConstant ( RealType  k)
inline

Definition at line 68 of file HarmonicBendType.hpp.

References k_.

Member Data Documentation

◆ k_

RealType OpenMD::HarmonicBendType::k_
private

Definition at line 80 of file HarmonicBendType.hpp.

Referenced by calcForce(), getForceConstant(), and setForceConstant().


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