OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::QuarticTorsionType Class Reference

#include <QuarticTorsionType.hpp>

+ Inheritance diagram for OpenMD::QuarticTorsionType:

Public Member Functions

 QuarticTorsionType (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 cosPhi, RealType &V, RealType &dVdcosPhi)
 

Detailed Description

Todo
document

Definition at line 62 of file QuarticTorsionType.hpp.

Constructor & Destructor Documentation

◆ QuarticTorsionType()

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

Definition at line 64 of file QuarticTorsionType.hpp.

Member Function Documentation

◆ calcForce()

virtual void OpenMD::QuarticTorsionType::calcForce ( RealType cosPhi,
RealType & V,
RealType & dVdcosPhi )
inlinevirtual

Implements OpenMD::TorsionType.

Definition at line 87 of file QuarticTorsionType.hpp.

◆ getForceConstant()

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

Definition at line 78 of file QuarticTorsionType.hpp.

◆ setForceConstant()

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

Definition at line 69 of file QuarticTorsionType.hpp.


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