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

#include <HarmonicInversionType.hpp>

Inheritance diagram for OpenMD::HarmonicInversionType:
OpenMD::InversionType

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, and operator<<.

Friends And Related Function Documentation

◆ operator<<

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

Definition at line 86 of file HarmonicInversionType.hpp.

Referenced by getKey().

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_
private

Definition at line 82 of file HarmonicInversionType.hpp.

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


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