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

#include "types/AmberImproperTorsionType.hpp"

Inheritance diagram for OpenMD::AmberImproperTorsionType:
OpenMD::PolynomialInversionType OpenMD::InversionType

Public Member Functions

 AmberImproperTorsionType (RealType v2)
 
- Public Member Functions inherited from OpenMD::PolynomialInversionType
 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)
 
- Public Member Functions inherited from OpenMD::InversionType
virtual ~InversionType ()
 

Private Attributes

RealType v2_
 

Friends

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

Detailed Description

This impropertorsion potential has the form:

Vimptors = 0.5*v2*(1-cos(2*(phi-phi0)))

Definition at line 63 of file AmberImproperTorsionType.hpp.

Constructor & Destructor Documentation

◆ AmberImproperTorsionType()

OpenMD::AmberImproperTorsionType::AmberImproperTorsionType ( RealType  v2)
inline

Friends And Related Function Documentation

◆ operator<<

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

Definition at line 86 of file AmberImproperTorsionType.hpp.

Referenced by AmberImproperTorsionType().

Member Data Documentation

◆ v2_

RealType OpenMD::AmberImproperTorsionType::v2_
private

Definition at line 82 of file AmberImproperTorsionType.hpp.

Referenced by OpenMD::operator<<().


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