coupling::ParticleInsertion< LinkedCell, dim > Class Template Reference

interface for particle insertion/removal on coupling cell basis. More...

#include <ParticleInsertion.h>

Inheritance diagram for coupling::ParticleInsertion< LinkedCell, dim >:

Public Types
enum	Action { NoAction = 0 , Insertion = 1 , Deletion = 2 }

Public Member Functions
virtual coupling::ParticleInsertion< LinkedCell, dim >::Action	insertDeleteMass (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, const tarch::la::Vector< dim, double > &couplingCellPosition, const tarch::la::Vector< dim, double > &couplingCellSize, const tarch::la::Vector< dim, double > &meanVelocity, const double &temperature, const coupling::BoundaryForceController< LinkedCell, dim > &boundaryForceController)=0
	adds or removes particles to the coupling cell, simulates a mass flow.
virtual bool	requiresPotentialEnergyLandscape ()=0
	returns true, if a potential energy landscape is needed for the insertion/removal.
	ParticleInsertion (unsigned int insertDeleteMassEveryTimestep)
	a simple constructor
virtual	~ParticleInsertion ()
	a simple destructor
bool	insertDeleteMassAtTimestep (unsigned int t) const
	returns true if mass needs to be inserted or removed in a time step t

Private Attributes
const unsigned int	_insertDeleteMassEveryTimestep

Detailed Description

template<class LinkedCell, unsigned int dim>
class coupling::ParticleInsertion< LinkedCell, dim >

interface for particle insertion/removal on coupling cell basis.

Author

Philipp Neumann

Template Parameters

LinkedCell	the LinkedCell class is given by the implementation of linked cells in the molecular dynamics simulation
dim	refers to the spacial dimension of the simulation, can be 1, 2, or 3

Member Enumeration Documentation

Action

template<class LinkedCell, unsigned int dim>

enum coupling::ParticleInsertion::Action

this state is returned by the insertDeleteMass() function. To tell the program, which action happened through the application of the function

Enumerator
NoAction	No action was taken / Nothing changed.
Insertion	A molecule was inserted.
Deletion	A molecule was deleted.

Constructor & Destructor Documentation

ParticleInsertion()

template<class LinkedCell, unsigned int dim>

coupling::ParticleInsertion< LinkedCell, dim >::ParticleInsertion ( unsigned int insertDeleteMassEveryTimestep )

inline

a simple constructor

Parameters

insertDeleteMassAtTimestep

interval of time steps for the insertion/removal of particles

Member Function Documentation

insertDeleteMass()

template<class LinkedCell, unsigned int dim>

virtual coupling::ParticleInsertion< LinkedCell, dim >::Action coupling::ParticleInsertion< LinkedCell, dim >::insertDeleteMass ( coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > & cell, const tarch::la::Vector< dim, double > & couplingCellPosition, const tarch::la::Vector< dim, double > & couplingCellSize, const tarch::la::Vector< dim, double > & meanVelocity, const double & temperature, const coupling::BoundaryForceController< LinkedCell, dim > & boundaryForceController )

pure virtual

adds or removes particles to the coupling cell, simulates a mass flow.

Parameters

cell	the coupling cell to insert or delete mass
couplingCellPosition	position of the cell given as a vector
couplingCellSize	size of the coupling cell given as a vector
meanVelocity	the mean velocity in the cell as a vector
temperature	the current temperature in the cell
boundaryForceController	an instance of the boundaryForceController for the simulation

Returns

the type of coupling::ParticleInsertion::Action that was applied

Implemented in coupling::NoParticleInsertion< LinkedCell, dim >, and coupling::UsherParticleInsertion< LinkedCell, dim >.

insertDeleteMassAtTimestep()

template<class LinkedCell, unsigned int dim>

bool coupling::ParticleInsertion< LinkedCell, dim >::insertDeleteMassAtTimestep ( unsigned int t ) const

inline

returns true if mass needs to be inserted or removed in a time step t

Parameters

t	time step to check for the insertion/removal of mass

Returns

a bool that indicates if mass insertion/deletion shall be applied in this time step (true) or not (false)

requiresPotentialEnergyLandscape()

template<class LinkedCell, unsigned int dim>

virtual bool coupling::ParticleInsertion< LinkedCell, dim >::requiresPotentialEnergyLandscape ( )

pure virtual

returns true, if a potential energy landscape is needed for the insertion/removal.

returns true, if the particle insertion requires information on the potential energy landscape. The USHER algorithm requires it. Other algorithms may not require it; the trivial NoParticleInsertion-implementation which does not do anything obviously does not require a valid potential energy landscape.

Returns

a bool that indicates if a potential energy landscape is neccessary (true) or not (false)

Implemented in coupling::NoParticleInsertion< LinkedCell, dim >, and coupling::UsherParticleInsertion< LinkedCell, dim >.

Member Data Documentation

_insertDeleteMassEveryTimestep

template<class LinkedCell, unsigned int dim>

const unsigned int coupling::ParticleInsertion< LinkedCell, dim >::_insertDeleteMassEveryTimestep

private

interval of time steps for the insertion/removal of particles

---

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

• coupling/ParticleInsertion.h