ls1-MarDyn
ls1-MarDyn molecular dynamics code
Classes | Public Member Functions | List of all members
VCP1CLJRMM Class Reference
Inheritance diagram for VCP1CLJRMM:
CellProcessor

Public Member Functions

 VCP1CLJRMM (Domain &domain, double cutoffRadius, double LJcutoffRadius)
 
void initTraversal ()
 Reset macroscopic values to 0.0. More...
 
void preprocessCell (ParticleCell &)
 Load the CellDataSoA for cell. More...
 
void processCellPair (ParticleCell &cell1, ParticleCell &cell2, bool sumAll=false)
 
double processSingleMolecule (Molecule *, ParticleCell &)
 
void processCell (ParticleCell &cell)
 Calculate forces between pairs of Molecules in cell. More...
 
void postprocessCell (ParticleCell &)
 Free the LennardJonesSoA for cell. More...
 
void endTraversal ()
 Store macroscopic values in the Domain. More...
 
void setDtInvm (double dtInvm)
 
double getDtInvm () const
 
template<class ForcePolicy , bool CalculateMacroscopic, class MaskGatherChooser >
void _calculatePairs (CellDataSoARMM &soa1, CellDataSoARMM &soa2)
 
- Public Member Functions inherited from CellProcessor
 CellProcessor (const double cutoffRadius, const double LJCutoffRadius)
 
virtual ~CellProcessor ()
 
double getCutoffRadius () const
 
double getLJCutoffRadius () const
 
void setCutoffRadius (const double c)
 
void setLJCutoffRadius (const double ljc)
 
double getCutoffRadiusSquare () const
 
double getLJCutoffRadiusSquare () const
 
void setCutoffRadiusSquare (const double c)
 
void setLJCutoffRadiusSquare (const double ljc)
 

Additional Inherited Members

- Protected Attributes inherited from CellProcessor
double _cutoffRadiusSquare
 
double _LJCutoffRadiusSquare
 

Member Function Documentation

◆ endTraversal()

void VCP1CLJRMM::endTraversal ( )
virtual

Store macroscopic values in the Domain.

Implements CellProcessor.

◆ initTraversal()

void VCP1CLJRMM::initTraversal ( )
virtual

Reset macroscopic values to 0.0.

Implements CellProcessor.

◆ postprocessCell()

void VCP1CLJRMM::postprocessCell ( ParticleCell )
inlinevirtual

Free the LennardJonesSoA for cell.

Implements CellProcessor.

◆ preprocessCell()

void VCP1CLJRMM::preprocessCell ( ParticleCell )
inlinevirtual

Load the CellDataSoA for cell.

Implements CellProcessor.

◆ processCell()

void VCP1CLJRMM::processCell ( ParticleCell cell)
virtual

Calculate forces between pairs of Molecules in cell.

Implements CellProcessor.

◆ processCellPair()

void VCP1CLJRMM::processCellPair ( ParticleCell cell1,
ParticleCell cell2,
bool  sumAll = false 
)
virtual

Called for each cell pair within the cutoff radius. Called exactly once per pair (i.e. pairs are not ordered).

Note
will not be called for empty cells. Sum up all macroscopic values (e.g. for hs) or only half of them (e.g. for fs)

Implements CellProcessor.

◆ processSingleMolecule()

double VCP1CLJRMM::processSingleMolecule ( Molecule ,
ParticleCell  
)
inlinevirtual

Implements CellProcessor.


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