#include <HarmonicInversionType.hpp>

Inheritance diagram for OpenMD::HarmonicInversionType:

Public Member Functions
	HarmonicInversionType (RealType d0, RealType phi0)

virtual void	calcForce (RealType phi, RealType &V, RealType &dVdPhi)

virtual InversionKey	getKey ()

Public Member Functions inherited from OpenMD::InversionType
virtual	~InversionType ()

Private Attributes
RealType	d0_

RealType	phi0_

Friends
std::ostream &	operator<< (std::ostream &os, HarmonicInversionType &ttt)

Detailed Description

This inversion potential has the form:

$V_{inv} = \frac{d_0}{2} \left(\phi - \phi_0\right)^2$

Definition at line 61 of file HarmonicInversionType.hpp.

Constructor & Destructor Documentation

◆ HarmonicInversionType()

OpenMD::HarmonicInversionType::HarmonicInversionType	(	RealType	d0,
		RealType	phi0
	)

inline

Definition at line 65 of file HarmonicInversionType.hpp.

Member Function Documentation

◆ calcForce()

virtual void OpenMD::HarmonicInversionType::calcForce	(	RealType	phi,
		RealType &	V,
		RealType &	dVdPhi
	)

inlinevirtual

Implements OpenMD::InversionType.

Definition at line 69 of file HarmonicInversionType.hpp.

References d0_, and phi0_.

◆ getKey()

virtual InversionKey OpenMD::HarmonicInversionType::getKey ( )

inlinevirtual

Implements OpenMD::InversionType.

Definition at line 76 of file HarmonicInversionType.hpp.

References OpenMD::itAngle.

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<<	(	std::ostream &	os,
		HarmonicInversionType &	ttt
	)

friend

Definition at line 86 of file HarmonicInversionType.hpp.

Member Data Documentation

◆ d0_

RealType OpenMD::HarmonicInversionType::d0_

private

Definition at line 81 of file HarmonicInversionType.hpp.

Referenced by calcForce(), and OpenMD::operator<<().

◆ phi0_

RealType OpenMD::HarmonicInversionType::phi0_