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

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

#include <AdditiveMomentumInsertion.h>

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

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

Public Member Functions
	AdditiveMomentumInsertion (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface, unsigned int numberMDTimestepsPerCouplingCycle)
	A simple constructor.
	~AdditiveMomentumInsertion ()
	A simple destructor.
unsigned int	getTimeIntervalPerMomentumInsertion () const override
	returns the interval of time steps for momentum insertion
void	insertMomentum (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 idx) const override
	inserts momentum to the cell
Public Member Functions inherited from coupling::MomentumInsertion< LinkedCell, dim >
	MomentumInsertion (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	a simple constructor
virtual	~MomentumInsertion ()
	a simple destructor

Private Attributes
const unsigned int	_numberMDTimestepsPerCouplingCycle

Additional Inherited Members
Protected Attributes inherited from coupling::MomentumInsertion< LinkedCell, dim >
coupling::interface::MDSolverInterface< LinkedCell, dim > *const	_mdSolverInterface

Detailed Description

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

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

This class allows to add momentum to molecules. In each MD timestep, it takes a respective fraction from the momentum buffer of a coupling cell and adds this momentum to the molecules of the coupling cell.

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

AdditiveMomentumInsertion()

template<class LinkedCell, unsigned int dim>

coupling::AdditiveMomentumInsertion< LinkedCell, dim >::AdditiveMomentumInsertion ( coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface, unsigned int numberMDTimestepsPerCouplingCycle )

inline

A simple constructor.

Parameters

mdSolverInterface	The interface of the molecular dynamics solver in application
numberMDTimestepsPerCouplingCycle	The number of molecular dynamics timesteps within one coupling cycle

Member Function Documentation

getTimeIntervalPerMomentumInsertion()

template<class LinkedCell, unsigned int dim>

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

inlineoverridevirtual

returns the interval of time steps for momentum insertion

returns 1 since momentum shall be inserted in every time step

Returns

1

Implements coupling::MomentumInsertion< LinkedCell, dim >.

insertMomentum()

template<class LinkedCell, unsigned int dim>

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

inlineoverridevirtual

inserts momentum to the cell

inserts the momentum of the coupling cell and distributes it 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	coupling cell to insert momentum to
idx	coupling cell index of the cell

Implements coupling::MomentumInsertion< LinkedCell, dim >.

Member Data Documentation

_numberMDTimestepsPerCouplingCycle

template<class LinkedCell, unsigned int dim>

const unsigned int coupling::AdditiveMomentumInsertion< LinkedCell, dim >::_numberMDTimestepsPerCouplingCycle

private

The number of molecular dynamics timesteps within one coupling cycle *‍/

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

• coupling/AdditiveMomentumInsertion.h