#include <lennard_jones_potential.h>

Public Member Functions
	LennardJonesPotential (const CoeffType &depth=0., const CoeffType &diameter=0.)

	~LennardJonesPotential ()

template<typename StateType >
void	set_diameter (const StateType &diameter)

template<typename StateType >
void	set_depth (const StateType &depth)

template<typename StateType >
void	reset_coeffs (const StateType &depth, const StateType &diameter)

CoeffType	diameter () const

CoeffType	depth () const

Private Attributes
CoeffType	_depth

CoeffType	_diameter

Detailed Description

template<typename CoeffType>
class Antioch::LennardJonesPotential< CoeffType >

The Lennard-Jones potential, for the moment, simply a storage faiclity, easily expandable to a full analysis object

$LJ(r_{ij}) = 4\epsilon_{ij} \left[\left(\frac{\sigma_{ij}}{r}\right)^{12} - \left(\frac{\sigma_{ij}}{r}\right)^6\right]$

with $\epsilon$ the well depth and $\sigma$ the collision diameter. The pair values are related to species values by the relations

$\epsilon_{ij} = \sqrt{\epsilon_i \epsilon_j}$

and

$\sigma_{ij} = \frac{\sigma_i + \sigma_j}{2}$

Definition at line 55 of file lennard_jones_potential.h.

Constructor & Destructor Documentation

template<typename CoeffType >

Antioch::LennardJonesPotential< CoeffType >::LennardJonesPotential	(	const CoeffType &	depth = `0.`,
		const CoeffType &	diameter = `0.`
	)

inline

Definition at line 85 of file lennard_jones_potential.h.

                                                                                                             :
         _depth(depth),
         _diameter(diameter)
   {
       return;
   }

template<typename CoeffType >

Antioch::LennardJonesPotential< CoeffType >::~LennardJonesPotential ( )

inline

Definition at line 94 of file lennard_jones_potential.h.

   {
      return;
   }

Member Function Documentation

template<typename CoeffType >

CoeffType Antioch::LennardJonesPotential< CoeffType >::depth ( ) const

inline

Definition at line 101 of file lennard_jones_potential.h.

   {
     return _depth;
   }

template<typename CoeffType >

CoeffType Antioch::LennardJonesPotential< CoeffType >::diameter ( ) const

inline

Definition at line 108 of file lennard_jones_potential.h.

   {
     return _diameter;
   }

template<typename CoeffType >

template<typename StateType >

void Antioch::LennardJonesPotential< CoeffType >::reset_coeffs	(	const StateType &	depth,
		const StateType &	diameter
	)

inline

Definition at line 132 of file lennard_jones_potential.h.

   {
       this->set_depth(depth);
       this->set_diameter(diameter);
   }

template<typename CoeffType >

template<typename StateType >

void Antioch::LennardJonesPotential< CoeffType >::set_depth ( const StateType & depth )

inline

Definition at line 124 of file lennard_jones_potential.h.

   {
      _depth = depth;
   }

template<typename CoeffType >

template<typename StateType >

void Antioch::LennardJonesPotential< CoeffType >::set_diameter ( const StateType & diameter )

inline

Definition at line 116 of file lennard_jones_potential.h.

   {
      _diameter = diameter;
   }

Member Data Documentation

template<typename CoeffType>

CoeffType Antioch::LennardJonesPotential< CoeffType >::_depth

private

Definition at line 78 of file lennard_jones_potential.h.

template<typename CoeffType>

CoeffType Antioch::LennardJonesPotential< CoeffType >::_diameter

private

Definition at line 79 of file lennard_jones_potential.h.

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

src/transport/include/antioch/lennard_jones_potential.h

Public Member Functions

Private Attributes

Detailed Description

template<typename CoeffType> class Antioch::LennardJonesPotential< CoeffType >

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<typename CoeffType>
class Antioch::LennardJonesPotential< CoeffType >