OpenMD::AmberImproperTorsionType Class Reference

"types/AmberImproperTorsionType.hpp" More...

#include <AmberImproperTorsionType.hpp>

Inheritance diagram for OpenMD::AmberImproperTorsionType:

Public Member Functions
	AmberImproperTorsionType (RealType v2)
Public Member Functions inherited from OpenMD::PolynomialInversionType
RealType	getCoefficient (int power)
void	addCoefficient (int power, RealType coefficient)
void	setCoefficient (int power, RealType coefficient)
void	setPolynomial (DoublePolynomial p)
virtual InversionKey	getKey ()
virtual void	calcForce (RealType cosPhi, RealType &V, RealType &dVdCosPhi)

Friends
std::ostream &	operator<< (std::ostream &os, AmberImproperTorsionType &ott)

Detailed Description

"types/AmberImproperTorsionType.hpp"

This impropertorsion potential has the form:

\[ V_\mathrm{imptors} = 0.5*v2*(1-\cos(2*(\phi-\phi_0))) \]

although the parameter \(\phi_0\) is usually assumed to be 0.

Definition at line 67 of file AmberImproperTorsionType.hpp.

Constructor & Destructor Documentation

AmberImproperTorsionType()

OpenMD::AmberImproperTorsionType::AmberImproperTorsionType ( RealType v2 )

inline

Definition at line 69 of file AmberImproperTorsionType.hpp.

Friends And Related Symbol Documentation

operator<<

std::ostream & operator<< ( std::ostream & os, AmberImproperTorsionType & ott )

friend

Definition at line 85 of file AmberImproperTorsionType.hpp.

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

• types/AmberImproperTorsionType.hpp