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

#include "types/CharmmTorsionType.hpp"

Inheritance diagram for OpenMD::CharmmTorsionType:
OpenMD::PolynomialTorsionType OpenMD::TorsionType

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)

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