ls1-MarDyn
ls1-MarDyn molecular dynamics code
|
used for guessing load More...
#include <ParticlePairs2LoadCalcAdapter.h>
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 () |
![]() | |
ParticlePairsHandler () | |
Constructor. | |
virtual | ~ParticlePairsHandler () |
Destructor. | |
used for guessing load
|
inlinevirtual |
finish
Implements ParticlePairsHandler.
|
inlinevirtual |
initialize
Implements ParticlePairsHandler.
|
inlinevirtual |
things to be done for each particle pair
particle1 | first particle |
particle2 | second particle |
distanceVector[3] | distance between the two particles |
pairType | describes 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.
|
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