OpenMD::PolynomialTorsionType Class Reference

"types/PolynomialTorsionType.hpp" More...

#include <PolynomialTorsionType.hpp>

Inheritance diagram for OpenMD::PolynomialTorsionType:

Public Member Functions
RealType	getCoefficient (int power)
void	addCoefficient (int power, RealType coefficient)
void	setCoefficient (int power, RealType coefficient)
void	setPolynomial (DoublePolynomial p)
virtual void	calcForce (RealType cosPhi, RealType &V, RealType &dVdCosPhi)

Detailed Description

"types/PolynomialTorsionType.hpp"

Todo

documentation

Definition at line 67 of file PolynomialTorsionType.hpp.

Constructor & Destructor Documentation

PolynomialTorsionType()

OpenMD::PolynomialTorsionType::PolynomialTorsionType ( )

inline

Definition at line 69 of file PolynomialTorsionType.hpp.

Member Function Documentation

addCoefficient()

void OpenMD::PolynomialTorsionType::addCoefficient ( int power, RealType coefficient )

inline

Definition at line 76 of file PolynomialTorsionType.hpp.

calcForce()

virtual void OpenMD::PolynomialTorsionType::calcForce ( RealType cosPhi, RealType & V, RealType & dVdCosPhi )

inlinevirtual

Implements OpenMD::TorsionType.

Definition at line 86 of file PolynomialTorsionType.hpp.

getCoefficient()

RealType OpenMD::PolynomialTorsionType::getCoefficient ( int power )

inline

Definition at line 72 of file PolynomialTorsionType.hpp.

setCoefficient()

void OpenMD::PolynomialTorsionType::setCoefficient ( int power, RealType coefficient )

inline

Definition at line 80 of file PolynomialTorsionType.hpp.

setPolynomial()

void OpenMD::PolynomialTorsionType::setPolynomial ( DoublePolynomial p )

inline

Definition at line 84 of file PolynomialTorsionType.hpp.

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

• types/PolynomialTorsionType.hpp