OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::CubicBondType Class Reference

#include <CubicBondType.hpp>

+ Inheritance diagram for OpenMD::CubicBondType:

Public Member Functions

 CubicBondType (RealType r0, RealType k3, RealType k2, RealType k1, RealType k0)
 
void setForceConstant (RealType k3, RealType k2, RealType k1, RealType k0)
 
void getForceConstant (RealType &k3, RealType &k2, RealType &k1, RealType &k0)
 
virtual void calcForce (RealType r, RealType &V, RealType &dVdr)
 
- Public Member Functions inherited from OpenMD::BondType
 BondType (RealType myR0)
 
RealType getEquilibriumBondLength ()
 
void setEquilibriumBondLength (RealType myR0)
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::BondType
RealType r0
 

Detailed Description

Todo
document

Definition at line 62 of file CubicBondType.hpp.

Constructor & Destructor Documentation

◆ CubicBondType()

OpenMD::CubicBondType::CubicBondType ( RealType r0,
RealType k3,
RealType k2,
RealType k1,
RealType k0 )
inline

Definition at line 64 of file CubicBondType.hpp.

Member Function Documentation

◆ calcForce()

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

Implements OpenMD::BondType.

Definition at line 84 of file CubicBondType.hpp.

◆ getForceConstant()

void OpenMD::CubicBondType::getForceConstant ( RealType & k3,
RealType & k2,
RealType & k1,
RealType & k0 )
inline

Definition at line 76 of file CubicBondType.hpp.

◆ setForceConstant()

void OpenMD::CubicBondType::setForceConstant ( RealType k3,
RealType k2,
RealType k1,
RealType k0 )
inline

Definition at line 69 of file CubicBondType.hpp.


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