coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim > Class Template Reference

This class computes the mean potential energy over this coupling cell. More...

#include <ComputeMeanPotentialEnergyMapping.h>

Public Member Functions
	ComputeMeanPotentialEnergyMapping (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface, const coupling::BoundaryForceController< LinkedCell, dim > &boundaryForceController)
	~ComputeMeanPotentialEnergyMapping ()
void	beginCellIteration ()
void	endCellIteration ()
void	handleCell (LinkedCell &cell)
double	getPotentialEnergy () const

Private Attributes
coupling::interface::MDSolverInterface< LinkedCell, dim > *const	_mdSolverInterface
double	_meanPotentialEnergy
unsigned int	_particleCounter
const coupling::BoundaryForceController< LinkedCell, dim > &	_boundaryForceController

Detailed Description

template<class LinkedCell, unsigned int dim>
class coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >

This class computes the mean potential energy over this coupling cell.

Template Parameters

LinkedCell	cell type
dim	Number of dimensions; it can be 1, 2 or 3

Author

Philipp Neumann

Constructor & Destructor Documentation

ComputeMeanPotentialEnergyMapping()

template<class LinkedCell, unsigned int dim>

coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >::ComputeMeanPotentialEnergyMapping ( coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface, const coupling::BoundaryForceController< LinkedCell, dim > & boundaryForceController )

inline

Constructor

Parameters

mdSolverInterface
boundaryForceController

~ComputeMeanPotentialEnergyMapping()

template<class LinkedCell, unsigned int dim>

coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >::~ComputeMeanPotentialEnergyMapping ( )

inline

Destructor

Member Function Documentation

beginCellIteration()

template<class LinkedCell, unsigned int dim>

void coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >::beginCellIteration ( )

inline

sets the mean potential energy and the particle counter to zero, before the iteration process begins.

endCellIteration()

template<class LinkedCell, unsigned int dim>

void coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >::endCellIteration ( )

inline

computes the mean potential energy in a linked cell, by dividing the summation of the mean potential energy of all particles inside the cell over the number of particles.

getPotentialEnergy()

template<class LinkedCell, unsigned int dim>

double coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >::getPotentialEnergy ( ) const

inline

returns the mean potential energy inside a linked cell

Returns

_meanPotentialEnergy

handleCell()

template<class LinkedCell, unsigned int dim>

void coupling::cellmappings::ComputeMeanPotentialEnergyMapping< LinkedCell, dim >::handleCell ( LinkedCell & cell )

inline

counts the molecules inside a linked cell and sums up the of the mean potential energy of all particles inside the cell.

Parameters

cell

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

• coupling/cell-mappings/ComputeMeanPotentialEnergyMapping.h