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

#include <QuarticBendType.hpp>

Inheritance diagram for OpenMD::QuarticBendType:
OpenMD::BendType

Public Member Functions

 QuarticBendType (RealType r0, RealType k4, RealType k3, RealType k2, RealType k1, RealType k0)
 
void setForceConstant (RealType k4, RealType k3, RealType k2, RealType k1, RealType k0)
 
void getForceConstant (RealType &k4, 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 k4_
 
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 QuarticBendType.hpp.

Constructor & Destructor Documentation

◆ QuarticBendType()

OpenMD::QuarticBendType::QuarticBendType ( RealType  r0,
RealType  k4,
RealType  k3,
RealType  k2,
RealType  k1,
RealType  k0 
)
inline

Definition at line 64 of file QuarticBendType.hpp.

Member Function Documentation

◆ calcForce()

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

Implements OpenMD::BendType.

Definition at line 87 of file QuarticBendType.hpp.

References k0_, k1_, k2_, k3_, k4_, and OpenMD::BendType::theta0_.

◆ getForceConstant()

void OpenMD::QuarticBendType::getForceConstant ( RealType &  k4,
RealType &  k3,
RealType &  k2,
RealType &  k1,
RealType &  k0 
)
inline

Definition at line 78 of file QuarticBendType.hpp.

References k0_, k1_, k2_, k3_, and k4_.

◆ setForceConstant()

void OpenMD::QuarticBendType::setForceConstant ( RealType  k4,
RealType  k3,
RealType  k2,
RealType  k1,
RealType  k0 
)
inline

Definition at line 69 of file QuarticBendType.hpp.

References k0_, k1_, k2_, k3_, and k4_.

Member Data Documentation

◆ k0_

RealType OpenMD::QuarticBendType::k0_
private

Definition at line 102 of file QuarticBendType.hpp.

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

◆ k1_

RealType OpenMD::QuarticBendType::k1_
private

Definition at line 101 of file QuarticBendType.hpp.

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

◆ k2_

RealType OpenMD::QuarticBendType::k2_
private

Definition at line 100 of file QuarticBendType.hpp.

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

◆ k3_

RealType OpenMD::QuarticBendType::k3_
private

Definition at line 99 of file QuarticBendType.hpp.

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

◆ k4_

RealType OpenMD::QuarticBendType::k4_
private

Definition at line 98 of file QuarticBendType.hpp.

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


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