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

#include <CubicBendType.hpp>

Inheritance diagram for OpenMD::CubicBendType:
OpenMD::BendType

Public Member Functions

 CubicBendType (RealType theta, 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 theta, RealType &V, RealType &dVdTheta)
 
- Public Member Functions inherited from OpenMD::BendType
 BendType (RealType theta)
 
virtual ~BendType ()
 
RealType getTheta ()
 
void setTheta (RealType theta)
 

Private Attributes

RealType k3_
 
RealType k2_
 
RealType k1_
 
RealType k0_
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::BendType
RealType theta0_
 

Detailed Description

Todo:
document

Definition at line 60 of file CubicBendType.hpp.

Constructor & Destructor Documentation

◆ CubicBendType()

OpenMD::CubicBendType::CubicBendType ( RealType  theta,
RealType  k3,
RealType  k2,
RealType  k1,
RealType  k0 
)
inline

Definition at line 64 of file CubicBendType.hpp.

Member Function Documentation

◆ calcForce()

virtual void OpenMD::CubicBendType::calcForce ( RealType  theta,
RealType &  V,
RealType &  dVdTheta 
)
inlinevirtual

Implements OpenMD::BendType.

Definition at line 84 of file CubicBendType.hpp.

References k0_, k1_, k2_, k3_, and OpenMD::BendType::theta0_.

◆ getForceConstant()

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

Definition at line 76 of file CubicBendType.hpp.

References k0_, k1_, k2_, and k3_.

◆ setForceConstant()

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

Definition at line 69 of file CubicBendType.hpp.

References k0_, k1_, k2_, and k3_.

Member Data Documentation

◆ k0_

RealType OpenMD::CubicBendType::k0_
private

Definition at line 98 of file CubicBendType.hpp.

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

◆ k1_

RealType OpenMD::CubicBendType::k1_
private

Definition at line 97 of file CubicBendType.hpp.

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

◆ k2_

RealType OpenMD::CubicBendType::k2_
private

Definition at line 96 of file CubicBendType.hpp.

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

◆ k3_

RealType OpenMD::CubicBendType::k3_
private

Definition at line 95 of file CubicBendType.hpp.

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


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