ls1-MarDyn
ls1-MarDyn molecular dynamics code
Public Member Functions | List of all members
ParticlePairs2LoadCalcAdapter Class Reference

used for guessing load More...

#include <ParticlePairs2LoadCalcAdapter.h>

Inheritance diagram for ParticlePairs2LoadCalcAdapter:
ParticlePairsHandler

Public Member Functions

 ParticlePairs2LoadCalcAdapter ()
 Constructor.
 
 ParticlePairs2LoadCalcAdapter (int globalCellsPerDim[3], int lowCorner[3], double cellSize[3], ParticleContainer *moleculeContainer)
 
 ~ParticlePairs2LoadCalcAdapter ()
 Destructor.
 
void init ()
 initialize More...
 
void finish ()
 finish More...
 
double processPair (Molecule &particle1, Molecule &particle2, double distanceVector[3], PairType pairType, double dd, bool calculateLJ, double *force=NULL)
 calculate force between pairs and collect macroscopic contribution More...
 
double processPair (Molecule &particle1, Molecule &particle2, double distanceVector[3], PairType pairType, double dd, bool calculateLJ)
 things to be done for each particle pair More...
 
void giveStatus ()
 
float * getLoad ()
 
- Public Member Functions inherited from ParticlePairsHandler
 ParticlePairsHandler ()
 Constructor.
 
virtual ~ParticlePairsHandler ()
 Destructor.
 

Detailed Description

used for guessing load

Author
Martin Buchholz

Member Function Documentation

◆ finish()

void ParticlePairs2LoadCalcAdapter::finish ( )
inlinevirtual

finish

Implements ParticlePairsHandler.

◆ init()

void ParticlePairs2LoadCalcAdapter::init ( )
inlinevirtual

initialize

Implements ParticlePairsHandler.

◆ processPair() [1/2]

double ParticlePairs2LoadCalcAdapter::processPair ( Molecule particle1,
Molecule particle2,
double  distanceVector[3],
PairType  pairType,
double  dd,
bool  calculateLJ 
)
inlinevirtual

things to be done for each particle pair

Parameters
particle1first particle
particle2second particle
distanceVector[3]distance between the two particles
pairTypedescribes whether the pair is a original pair(0) or a duplicated pair(1) for details about pair types see comments on traversePairs() in ParticleContainer

Implements ParticlePairsHandler.

◆ processPair() [2/2]

double ParticlePairs2LoadCalcAdapter::processPair ( Molecule particle1,
Molecule particle2,
double  distanceVector[3],
PairType  pairType,
double  dd,
bool  calculateLJ,
double *  force = NULL 
)
inline

calculate force between pairs and collect macroscopic contribution

For all pairs, the force between the two Molecules has to be calculated and stored in the molecules. For original pairs(pairType 0), the contributions to the macroscopic values have to be collected


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