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

#include "types/PolynomialBondType.hpp"

Inheritance diagram for OpenMD::PolynomialBondType:
OpenMD::BondType

Public Member Functions

 PolynomialBondType (RealType r0)
 
void setCoefficient (int power, RealType coefficient)
 
RealType getCoefficient (int power)
 
void calcForce (RealType r, RealType &V, RealType &dVdr)
 
- Public Member Functions inherited from OpenMD::BondType
 BondType (RealType myR0)
 
virtual ~BondType ()
 
RealType getEquilibriumBondLength ()
 
void setEquilibriumBondLength (RealType myR0)
 

Private Attributes

DoublePolynomial polynomial_
 

Friends

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

Additional Inherited Members

- Protected Attributes inherited from OpenMD::BondType
RealType r0
 

Detailed Description

Todo:
documentation

Definition at line 63 of file PolynomialBondType.hpp.

Constructor & Destructor Documentation

◆ PolynomialBondType()

OpenMD::PolynomialBondType::PolynomialBondType ( RealType  r0)
inline

Definition at line 66 of file PolynomialBondType.hpp.

Member Function Documentation

◆ calcForce()

void OpenMD::PolynomialBondType::calcForce ( RealType  r,
RealType &  V,
RealType &  dVdr 
)
inlinevirtual

◆ getCoefficient()

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

◆ setCoefficient()

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

Friends And Related Function Documentation

◆ operator<<

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

Definition at line 90 of file PolynomialBondType.hpp.

Referenced by calcForce().

Member Data Documentation

◆ polynomial_

DoublePolynomial OpenMD::PolynomialBondType::polynomial_
private

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