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.

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

• types/QuarticTorsionType.hpp