ls1-MarDyn
ls1-MarDyn molecular dynamics code
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Public Member Functions | |
LeafNodesContainer (double bBoxMin[3], double bBoxMax[3], double LJCellLength[3], unsigned subdivisionFactor, bool periodic=true) | |
double * | getCellLength () |
void | addParticle (Molecule &particle) |
void | clearParticles () |
void | traverseCells (SimpleCellProcessor &cellProcessor) |
void | traverseCellPairs (VectorizedChargeP2PCellProcessor &cellProcessor) |
void | traverseCellPairsOrig (VectorizedChargeP2PCellProcessor &cellProcessor) |
void | traverseCellPairsC08 (VectorizedChargeP2PCellProcessor &cellProcessor) |
const int * | getNumCellsPerDimension () const |
std::vector< ParticleCellPointers > & | getCells () |
long int | cellIndexOf3DIndex (int xIndex, int yIndex, int zIndex) const |
void | c08Step (long int baseIndex, VectorizedChargeP2PCellProcessor &cellProcessor) |