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

#include "types/PolynomialBendType.hpp"

Inheritance diagram for OpenMD::PolynomialBendType:
OpenMD::BendType

Public Member Functions

 PolynomialBendType (RealType theta)
 
void setCoefficient (int power, RealType coefficient)
 
RealType getCoefficient (int power)
 
void calcForce (RealType theta, RealType &V, RealType &dVdr)
 
- Public Member Functions inherited from OpenMD::BendType
 BendType (RealType theta)
 
virtual ~BendType ()
 
RealType getTheta ()
 
void setTheta (RealType theta)
 

Private Attributes

DoublePolynomial polynomial_
 

Friends

std::ostream & operator<< (std::ostream &os, PolynomialBendType &pbt)
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::BendType
RealType theta0_
 

Detailed Description

Todo:
documentation

Definition at line 63 of file PolynomialBendType.hpp.

Constructor & Destructor Documentation

◆ PolynomialBendType()

OpenMD::PolynomialBendType::PolynomialBendType ( RealType  theta)
inline

Definition at line 66 of file PolynomialBendType.hpp.

Member Function Documentation

◆ calcForce()

void OpenMD::PolynomialBendType::calcForce ( RealType  theta,
RealType &  V,
RealType &  dVdr 
)
inlinevirtual

◆ getCoefficient()

RealType OpenMD::PolynomialBendType::getCoefficient ( int  power)
inline

◆ setCoefficient()

void OpenMD::PolynomialBendType::setCoefficient ( int  power,
RealType  coefficient 
)
inline

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<< ( std::ostream &  os,
PolynomialBendType pbt 
)
friend

Definition at line 90 of file PolynomialBendType.hpp.

Referenced by calcForce().

Member Data Documentation

◆ polynomial_

DoublePolynomial OpenMD::PolynomialBendType::polynomial_
private

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