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

applies the boundary force from Zhou et al. in boundary cell. More...

#include <ZhouBoundaryForceController.h>

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

Collaboration diagram for coupling::ZhouBoundaryForceController< LinkedCell, dim >:

Public Member Functions
	ZhouBoundaryForceController (const double &density, const double &temperature, const tarch::la::Vector< 2 *dim, bool > &boundary, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	A simple constructor.
virtual	~ZhouBoundaryForceController ()
	Destructor.
virtual void	applyBoundaryForce (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell)
	applies the Zhou boundary force on a boundary cell
virtual double	getPotentialEnergy (const tarch::la::Vector< dim, double > &position) const
	calculates the potential energy for a given position
virtual tarch::la::Vector< dim, double >	getForce (const tarch::la::Vector< dim, double > &position) const
	calculates the boundary force for the given particle position
Public Member Functions inherited from coupling::BoundaryForceController< LinkedCell, dim >
	BoundaryForceController (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	A simple constructor.
virtual	~BoundaryForceController ()
	A simple destructor.

Private Attributes
const double	_density
	the mean density
const double	_temperature
	the mean temperature
const tarch::la::Vector< 2 *dim, bool >	_boundary
	indicates at which boundaries to apply the force
coupling::cellmappings::ZhouBoundaryForce< LinkedCell, dim >	_zhouBoundaryForce
	the cell mapping for the application of the force

Additional Inherited Members
Protected Attributes inherited from coupling::BoundaryForceController< LinkedCell, dim >
coupling::interface::MDSolverInterface< LinkedCell, dim > *const	_mdSolverInterface
	interface of the molecular dynamics solver

Detailed Description

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

applies the boundary force from Zhou et al. in boundary cell.

For details on the forcing, check out the descriptions in cell-mappings/ZhouBoundaryForce.

Template Parameters

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

Author

Philipp Neumann

Constructor & Destructor Documentation

ZhouBoundaryForceController()

template<class LinkedCell, unsigned int dim>

coupling::ZhouBoundaryForceController< LinkedCell, dim >::ZhouBoundaryForceController ( const double & density, const double & temperature, const tarch::la::Vector< 2 *dim, bool > & boundary, coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface )

inline

A simple constructor.

Parameters

density	the mean density for the setup
temperature	the mean temperature for the setup
boundary	a vector of booleans indicating at which boundaries the force shall be applied
mdSolverInterface	a reference to the interface of the MD solver

Member Function Documentation

applyBoundaryForce()

template<class LinkedCell, unsigned int dim>

virtual void coupling::ZhouBoundaryForceController< LinkedCell, dim >::applyBoundaryForce ( coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > & cell )

inlinevirtual

applies the Zhou boundary force on a boundary cell

iterates over all linked cells of the given coupling cell and applies the cellmapping for the Zhou boundary force

Parameters

cell	the macroscopic boundary cell to apply the boundary force

Implements coupling::BoundaryForceController< LinkedCell, dim >.

getForce()

template<class LinkedCell, unsigned int dim>

virtual tarch::la::Vector< dim, double > coupling::ZhouBoundaryForceController< LinkedCell, dim >::getForce ( const tarch::la::Vector< dim, double > & position ) const

inlinevirtual

calculates the boundary force for the given particle position

Parameters

position

particle position for the force calculation

Returns

the boundary force at the given position

Reimplemented from coupling::BoundaryForceController< LinkedCell, dim >.

getPotentialEnergy()

template<class LinkedCell, unsigned int dim>

virtual double coupling::ZhouBoundaryForceController< LinkedCell, dim >::getPotentialEnergy ( const tarch::la::Vector< dim, double > & position ) const

inlinevirtual

calculates the potential energy for a given position

Parameters

position

the position for which the potential energy will be calculated

Returns

the potential energy at the given position

Reimplemented from coupling::BoundaryForceController< LinkedCell, dim >.

Member Data Documentation

_boundary

template<class LinkedCell, unsigned int dim>

const tarch::la::Vector<2 * dim, bool> coupling::ZhouBoundaryForceController< LinkedCell, dim >::_boundary

private

indicates at which boundaries to apply the force

A boolean vector which indicates where to apply the boundary force. Per dimension it has two enteries. They refer to the boundaries in the following order: left (small x), right (high x), front (small y), back (high y), bottom (small z), top (high z).

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

• coupling/ZhouBoundaryForceController.h