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

controller for forces acting at open MD boundaries More...

#include <BoundaryForceController.h>

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

Public Member Functions
	BoundaryForceController (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	A simple constructor.
virtual	~BoundaryForceController ()
	A simple destructor.
virtual void	applyBoundaryForce (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell)=0
	applies the 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

Protected Attributes
coupling::interface::MDSolverInterface< LinkedCell, dim > *const	_mdSolverInterface
	interface of the molecular dynamics solver

Detailed Description

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

controller for forces acting at open MD boundaries

There is an interface method applyBoundaryForce which triggers potential boundary forcing in each coupling cell that is located at the very outer MD boundary (first layer of non-ghost coupling cells).

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

BoundaryForceController()

template<class LinkedCell, unsigned int dim>

coupling::BoundaryForceController< LinkedCell, dim >::BoundaryForceController ( coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface )

inline

A simple constructor.

Parameters

mdSolverInterface

interface to the molecular dynamics solver

Member Function Documentation

applyBoundaryForce()

template<class LinkedCell, unsigned int dim>

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

pure virtual

applies the boundary force on a boundary cell

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

Parameters

cell	the boundary coupling cell to apply the boundary force

Implemented in coupling::NoBoundaryForce< LinkedCell, dim >, and coupling::ZhouBoundaryForceController< LinkedCell, dim >.

getForce()

template<class LinkedCell, unsigned int dim>

virtual tarch::la::Vector< dim, double > coupling::BoundaryForceController< 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 force for the given position

Reimplemented in coupling::ZhouBoundaryForceController< LinkedCell, dim >.

getPotentialEnergy()

template<class LinkedCell, unsigned int dim>

virtual double coupling::BoundaryForceController< 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 for the given position

Reimplemented in coupling::ZhouBoundaryForceController< LinkedCell, dim >.

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

• coupling/BoundaryForceController.h