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

used to manipulate the momentum/ velocity of the molecules contained in a coupling cell. More...

#include <MomentumInsertion.h>

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

Public Member Functions
	MomentumInsertion (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	a simple constructor
virtual	~MomentumInsertion ()
	a simple destructor
virtual unsigned int	getTimeIntervalPerMomentumInsertion () const =0
	returns the number of MD steps between subsequent momentum insertions
virtual void	insertMomentum (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 idx) const =0
	inserts a fraction from the momentum of the coupling cell and distributes is over all molecules.
virtual void	setInnerImposition (bool enable)=0

Protected Attributes
coupling::interface::MDSolverInterface< LinkedCell, dim > *const	_mdSolverInterface

Detailed Description

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

used to manipulate the momentum/ velocity of the molecules contained in a coupling cell.

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

Constructor & Destructor Documentation

MomentumInsertion()

template<class LinkedCell, unsigned int dim>

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

inline

a simple constructor

Parameters

mdSolverInterface

interface to the md solver

Member Function Documentation

getTimeIntervalPerMomentumInsertion()

template<class LinkedCell, unsigned int dim>

virtual unsigned int coupling::MomentumInsertion< LinkedCell, dim >::getTimeIntervalPerMomentumInsertion ( ) const

pure virtual

returns the number of MD steps between subsequent momentum insertions

Returns

the time step interval for momentum insertion

Implemented in coupling::AdditiveMomentumInsertion< LinkedCell, dim >, coupling::NieVelocityImposition< LinkedCell, dim >, coupling::NoMomentumInsertion< LinkedCell, dim >, coupling::SetGivenVelocity4MomentumInsertion< LinkedCell, dim >, and coupling::VelocityGradientRelaxation< LinkedCell, dim >.

insertMomentum()

template<class LinkedCell, unsigned int dim>

virtual void coupling::MomentumInsertion< LinkedCell, dim >::insertMomentum ( coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > & cell, I02 idx ) const

pure virtual

inserts a fraction from the momentum of the coupling cell and distributes is over all molecules.

This method does not conserve the kinetic energy of the respective coupling cell. To conserve the energy as well, see the description of MomentumController on details how to do that.

Parameters

cell	the coupling cell to insert the momentum
fraction	the fraction of momentum to use

Implemented in coupling::AdditiveMomentumInsertion< LinkedCell, dim >, coupling::NieVelocityImposition< LinkedCell, dim >, coupling::NoMomentumInsertion< LinkedCell, dim >, coupling::SetGivenVelocity4MomentumInsertion< LinkedCell, dim >, coupling::VelocityGradientRelaxation< LinkedCell, dim >, and coupling::VelocityGradientRelaxationTopOnly< LinkedCell, dim >.

setInnerImposition()

template<class LinkedCell, unsigned int dim>

virtual void coupling::MomentumInsertion< LinkedCell, dim >::setInnerImposition ( bool enable )

pure virtual

Used to activate / deactivate momentum insertion also on inner cell layers

Implemented in coupling::AdditiveMomentumInsertion< LinkedCell, dim >, coupling::NieVelocityImposition< LinkedCell, dim >, coupling::NoMomentumInsertion< LinkedCell, dim >, coupling::SetGivenVelocity4MomentumInsertion< LinkedCell, dim >, and coupling::VelocityGradientRelaxation< LinkedCell, dim >.

Member Data Documentation

_mdSolverInterface

template<class LinkedCell, unsigned int dim>

coupling::interface::MDSolverInterface<LinkedCell, dim>* const coupling::MomentumInsertion< LinkedCell, dim >::_mdSolverInterface

protected

interface to the md solver

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

• coupling/MomentumInsertion.h