OpenMPCD::PairPotentials::FENE< T > Class Template Reference

FENE Interaction \( -0.5 K R^2 \log (1 - (\frac{r - l_0}{R})^2)\). More...

#include <FENE.hpp>

Inheritance diagram for OpenMPCD::PairPotentials::FENE< T >:

Collaboration diagram for OpenMPCD::PairPotentials::FENE< T >:

Public Member Functions
OPENMPCD_CUDA_HOST_AND_DEVICE	FENE (const T K, const T l_0, const T R)
	The constructor. More...
OPENMPCD_CUDA_HOST_AND_DEVICE Vector3D< T >	force (const Vector3D< T > &Rvec) const
	Returns the force vector of the interaction for a given position vector. More...
OPENMPCD_CUDA_HOST_AND_DEVICE T	potential (const Vector3D< T > &Rvec) const
	Returns the potential of the interaction for a given position vector. More...
OPENMPCD_CUDA_HOST_AND_DEVICE T	getK () const
	Returns the \( K \) parameter. More...
OPENMPCD_CUDA_HOST_AND_DEVICE T	getR () const
	Returns the \( R \) parameter. More...
OPENMPCD_CUDA_HOST_AND_DEVICE T	get_l_0 () const
	Returns the \( l_0 \) parameter. More...
virtual OPENMPCD_CUDA_HOST_AND_DEVICE Vector3D< FP >	force (const Vector3D< FP > &Rvec) const=0
	Returns the force vector of the interaction for a given position vector. More...
virtual OPENMPCD_CUDA_HOST_AND_DEVICE FP	potential (const Vector3D< FP > &Rvec) const=0
	Returns the potential of the interaction for a given position vector. More...
const OPENMPCD_CUDA_HOST_AND_DEVICE Vector3D< FP >	forceOnR1DueToR2 (const Vector3D< FP > &r1, const Vector3D< FP > &r2) const
	Returns the force exerted on the particle at r1 due to the particle at r2. More...

Detailed Description

template<typename T = FP>
class OpenMPCD::PairPotentials::FENE< T >

FENE Interaction \( -0.5 K R^2 \log (1 - (\frac{r - l_0}{R})^2)\).

Template Parameters

T	The numeric base type.

Definition at line 18 of file FENE.hpp.

Constructor & Destructor Documentation

FENE()

template<typename T = FP>

OPENMPCD_CUDA_HOST_AND_DEVICE OpenMPCD::PairPotentials::FENE< T >::FENE ( const T  K, const T  l_0, const T  R  )

inline

The constructor.

Parameters

[in]	K	Strength of FENE Interaction
[in]	l_0	Mean Bond length
[in]	R	Maximum FENE elongation

Definition at line 28 of file FENE.hpp.

Member Function Documentation

force() [1/2]

virtual OPENMPCD_CUDA_HOST_AND_DEVICE Vector3D<FP > OpenMPCD::PairPotentials::Base< FP >::force ( const Vector3D< T > &  Rvec ) const

pure virtualinherited

Returns the force vector of the interaction for a given position vector.

This function returns the directional derivative

\[ - \nabla_R V \left( \vec{R} \right) \]

where \( \vec{R} \) is the Rvec parameter, \( V \) is the potential as given by the potential function, and \( \nabla_R V \) is the gradient of \( V \) with respect to \( \vec{R} \).

Parameters

[in]

Rvec

The relative position vector.

force() [2/2]

template<typename T = FP>

OPENMPCD_CUDA_HOST_AND_DEVICE Vector3D<T> OpenMPCD::PairPotentials::FENE< T >::force ( const Vector3D< T > &  Rvec ) const

inline

Returns the force vector of the interaction for a given position vector.

This function returns the directional derivative

\[ - \nabla_R V \left( \vec{R} \right) \]

where \( \vec{R} \) is the Rvec parameter, \( V \) is the potential as given by the potential function, and \( \nabla_R V \) is the gradient of \( V \) with respect to \( \vec{R} \).

Parameters

[in]

Rvec

The relative position vector.

Definition at line 45 of file FENE.hpp.

forceOnR1DueToR2()

const OPENMPCD_CUDA_HOST_AND_DEVICE Vector3D<FP > OpenMPCD::PairPotentials::Base< FP >::forceOnR1DueToR2 ( const Vector3D< T > &  r1, const Vector3D< T > &  r2  ) const

inlineinherited

Returns the force exerted on the particle at r1 due to the particle at r2.

Parameters

[in]	r1	The position of the first particle.
[in]	r2	The position of the second particle.

Definition at line 65 of file PairPotentials/Base.hpp.

get_l_0()

template<typename T = FP>

OPENMPCD_CUDA_HOST_AND_DEVICE T OpenMPCD::PairPotentials::FENE< T >::get_l_0 ( ) const

inline

Returns the \( l_0 \) parameter.

Definition at line 91 of file FENE.hpp.

getK()

template<typename T = FP>

OPENMPCD_CUDA_HOST_AND_DEVICE T OpenMPCD::PairPotentials::FENE< T >::getK ( ) const

inline

Returns the \( K \) parameter.

Definition at line 73 of file FENE.hpp.

getR()

template<typename T = FP>

OPENMPCD_CUDA_HOST_AND_DEVICE T OpenMPCD::PairPotentials::FENE< T >::getR ( ) const

inline

Returns the \( R \) parameter.

Definition at line 82 of file FENE.hpp.

potential() [1/2]

virtual OPENMPCD_CUDA_HOST_AND_DEVICE FP OpenMPCD::PairPotentials::Base< FP >::potential ( const Vector3D< T > &  Rvec ) const

pure virtualinherited

Returns the potential of the interaction for a given position vector.

Parameters

[in]

Rvec

The relative position vector.

potential() [2/2]

template<typename T = FP>

OPENMPCD_CUDA_HOST_AND_DEVICE T OpenMPCD::PairPotentials::FENE< T >::potential ( const Vector3D< T > &  Rvec ) const

inline

Returns the potential of the interaction for a given position vector.

Parameters

[in]

Rvec

The relative position vector.

Definition at line 62 of file FENE.hpp.

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

• FENE.hpp