OpenMD::CharmmTorsionType Class Reference

#include "types/CharmmTorsionType.hpp"

Inheritance diagram for OpenMD::CharmmTorsionType:

Public Member Functions
	CharmmTorsionType (std::vector< CharmmTorsionParameter > &parameters)
Public Member Functions inherited from OpenMD::PolynomialTorsionType
	PolynomialTorsionType ()
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)
Public Member Functions inherited from OpenMD::TorsionType
virtual	~TorsionType ()

Detailed Description

Definition at line 79 of file CharmmTorsionType.hpp.

Constructor & Destructor Documentation

CharmmTorsionType()

OpenMD::CharmmTorsionType::CharmmTorsionType

(

std::vector< CharmmTorsionParameter > &

parameters

)

Definition at line 55 of file CharmmTorsionType.cpp.

References OpenMD::ChebyshevT::getChebyshevPolynomial(), OpenMD::ChebyshevU::getChebyshevPolynomial(), and OpenMD::PolynomialTorsionType::setPolynomial().

---

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

• types/CharmmTorsionType.hpp
• types/CharmmTorsionType.cpp