#include <TransferStrategy4SchwarzCoupling.h>

Inheritance diagram for coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >:

Collaboration diagram for coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >:

Public Member Functions
	TransferStrategy4SchwarzCoupling (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface, unsigned int numberMDSteps)
	a simple

virtual	~TransferStrategy4SchwarzCoupling ()
	a dummy destructor

void	beginProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData () override
	the sample counter is reseted (0)

void	processInnerCouplingCellAfterReceivingMacroscopicSolverData (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index) override
	the data received from the macro solver is processed

void	processOuterCouplingCellAfterReceivingMacroscopicSolverData (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index) override
	the momentum is converted to velocity (velocity = momentum/mass) and stored in the microscopicMomentum the mass is not applied, therefore the macroscopicMass is set to 0 the macroscopic quantities are reseted (0)

void	processInnerCouplingCellBeforeSendingMDSolverData (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index) override
	the data collected during the md time steps is averaged (/numberMDSteps)

void	processOuterCouplingCellBeforeSendingMDSolverData (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index) override
	the macroscopic quantities are reseted (0)

void	beginProcessInnerCouplingCellsAfterMDTimestep () override
	the _timestepCounter is incremented and if sample()==true the _sampleCounter too

void	processInnerCouplingCellAfterMDTimestep (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index) override
	the mass and momentum are evaluated in the cell and stored in the macroscopic quantities

Public Member Functions inherited from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >
	TransferStrategy (coupling::interface::MDSolverInterface< LinkedCell, dim > *const mdSolverInterface)
	a simple destructor

virtual	~TransferStrategy ()
	a dummy destructor

virtual void	processInnerCouplingCellBeforeReceivingMacroscopicSolverData (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index)
	is called on the inner coupling cells before the data from the macro solver is applied

virtual void	endProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData ()
	the method is called after the cells are processed, e.g. some general evaluation might happen like sum/counter

virtual void	processOuterCouplingCellBeforeReceivingMacroscopicSolverData (coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &cell, I02 index)
	is called on the outer coupling cells before the data from the macro solver is applied

virtual void	beginProcessOuterCouplingCellsBeforeReceivingMacroscopicSolverData ()
	the method is called before the outer cells are processed, e.g. general values might be set here

virtual void	endProcessOuterCouplingCellsBeforeReceivingMacroscopicSolverData ()
	the method is called after the outer cells are processed, e.g. general values might be set here

virtual void	beginProcessInnerCouplingCellsAfterReceivingMacroscopicSolverData ()
	the method is called before the inner cells are processed, e.g. general values might be set here

virtual void	endProcessInnerCouplingCellsAfterReceivingMacroscopicSolverData ()
	the method is called after the inner cells are processed, e.g. general values might be set here

virtual void	beginProcessOuterCouplingCellsAfterReceivingMacroscopicSolverData ()
	the method is called before the outer cells are processed, e.g. general values might be set here

virtual void	endProcessOuterCouplingCellsAfterReceivingMacroscopicSolverData ()
	the method is called after the outer cells are processed, e.g. general values might be set here

virtual void	beginProcessInnerCouplingCellsBeforeSendingMDSolverData ()
	the method is called before the inner cell data is send, e.g. general values might be set here

virtual void	endProcessInnerCouplingCellsBeforeSendingMDSolverData ()
	the method is called after the inner cell data is send, e.g. general values might be set here

virtual void	beginProcessOuterCouplingCellsBeforeSendingMDSolverData ()
	the method is called before the outer cells are processed, e.g. general values might be set here

virtual void	endProcessOuterCouplingCellsBeforeSendingMDSolverData ()
	the method is called after the outer cells are processed, e.g. general values might be set here

virtual void	endProcessInnerCouplingCellsAfterMDTimestep ()
	the method is called after the inner cell data is send, e.g. general values might be set here

Protected Member Functions
virtual bool	sample () const
	depending on the sampling interval (_sampleEveryTimestep) true is returned if sampling has to be done in the current time step

Private Attributes
coupling::cellmappings::ComputeMassMapping< LinkedCell, dim >	_massMapping

coupling::cellmappings::ComputeMomentumMapping< LinkedCell, dim >	_momentumMapping

unsigned int	_timestepCounter

unsigned int	_sampleCounter

const unsigned int	_numberMDSteps

const int	_sampleEveryTimestep

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

Detailed Description

template<class LinkedCell, unsigned int dim>
class coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >

transfer strategy for Schwarz coupling algorithm, adopted from Dupuis et al. We currently sample over the last 20% of the coupling interval, i.e. of the numberMDsteps time steps in MD. The other 80% are used for equilibration.

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

◆ TransferStrategy4SchwarzCoupling()

template<class LinkedCell, unsigned int dim>

coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::TransferStrategy4SchwarzCoupling	(	coupling::interface::MDSolverInterface< LinkedCell, dim > *const	mdSolverInterface,
		unsigned int	numberMDSteps )

inline

a simple

Parameters

mdSolverInterface	interface for the md solver
numberMDSteps	number of md time steps within one coupling time step

Member Function Documentation

◆ beginProcessInnerCouplingCellsAfterMDTimestep()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::beginProcessInnerCouplingCellsAfterMDTimestep ( )

overridevirtual

the _timestepCounter is incremented and if sample()==true the _sampleCounter too

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

◆ beginProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::beginProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData ( )

overridevirtual

the sample counter is reseted (0)

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

◆ processInnerCouplingCellAfterMDTimestep()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::processInnerCouplingCellAfterMDTimestep	(	coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &	cell,
		I02	index )

overridevirtual

the mass and momentum are evaluated in the cell and stored in the macroscopic quantities

Parameters

cell	the coupling cell to be processed
index	the index of the coupling cell

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

◆ processInnerCouplingCellAfterReceivingMacroscopicSolverData()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::processInnerCouplingCellAfterReceivingMacroscopicSolverData	(	coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &	cell,
		I02	index )

overridevirtual

the data received from the macro solver is processed

the momentum is converted to velocity (velocity = momentum/mass) and stored in the microscopicMomentum the mass is not applied, therefore the macroscopicMass is set to 0 the macroscopic quantities are reseted (0)

Parameters

cell	the coupling cell to be processed
index	the index of the coupling cell

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

◆ processInnerCouplingCellBeforeSendingMDSolverData()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::processInnerCouplingCellBeforeSendingMDSolverData	(	coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &	cell,
		I02	index )

overridevirtual

the data collected during the md time steps is averaged (/numberMDSteps)

Parameters

cell	the coupling cell to be processed
index	the index of the coupling cell

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

◆ processOuterCouplingCellAfterReceivingMacroscopicSolverData()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::processOuterCouplingCellAfterReceivingMacroscopicSolverData	(	coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &	cell,
		I02	index )

overridevirtual

the momentum is converted to velocity (velocity = momentum/mass) and stored in the microscopicMomentum the mass is not applied, therefore the macroscopicMass is set to 0 the macroscopic quantities are reseted (0)

the data received from the macro solver is processed

Parameters

cell	the coupling cell to be processed
index	the index of the coupling cell

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

◆ processOuterCouplingCellBeforeSendingMDSolverData()

template<class LinkedCell, unsigned int dim>

void coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::processOuterCouplingCellBeforeSendingMDSolverData	(	coupling::datastructures::CouplingCellWithLinkedCells< LinkedCell, dim > &	cell,
		I02	index )

overridevirtual

the macroscopic quantities are reseted (0)

Parameters

cell	the coupling cell to be processed
index	the index of the coupling cell

Reimplemented from coupling::transferstrategies::TransferStrategy< LinkedCell, dim >.

Member Data Documentation

◆ _massMapping

template<class LinkedCell, unsigned int dim>

coupling::cellmappings::ComputeMassMapping<LinkedCell, dim> coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::_massMapping

private

computes the mass in every single cell

◆ _momentumMapping

template<class LinkedCell, unsigned int dim>

coupling::cellmappings::ComputeMomentumMapping<LinkedCell, dim> coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::_momentumMapping

private

computes the momentum in every single cell

◆ _numberMDSteps

template<class LinkedCell, unsigned int dim>

const unsigned int coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::_numberMDSteps

private

number of md time steps within one coupling time step

◆ _sampleCounter

template<class LinkedCell, unsigned int dim>

unsigned int coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::_sampleCounter

private

counter for the samples

◆ _sampleEveryTimestep

template<class LinkedCell, unsigned int dim>

const int coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::_sampleEveryTimestep

private

the interval of sample point; 1 means every md time step is sampled; 10 means every 10th is used

◆ _timestepCounter

template<class LinkedCell, unsigned int dim>

unsigned int coupling::transferstrategies::TransferStrategy4SchwarzCoupling< LinkedCell, dim >::_timestepCounter

private

counter for the time steps

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

coupling/transferstrategies/TransferStrategy4SchwarzCoupling.h

Public Member Functions

Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ TransferStrategy4SchwarzCoupling()

Member Function Documentation

◆ beginProcessInnerCouplingCellsAfterMDTimestep()

◆ beginProcessInnerCouplingCellsBeforeReceivingMacroscopicSolverData()

◆ processInnerCouplingCellAfterMDTimestep()

◆ processInnerCouplingCellAfterReceivingMacroscopicSolverData()

◆ processInnerCouplingCellBeforeSendingMDSolverData()

◆ processOuterCouplingCellAfterReceivingMacroscopicSolverData()

◆ processOuterCouplingCellBeforeSendingMDSolverData()

Member Data Documentation

◆ _massMapping

◆ _momentumMapping

◆ _numberMDSteps

◆ _sampleCounter

◆ _sampleEveryTimestep

◆ _timestepCounter