src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H

   1 {
   2     vector rIJ;
   3
   4     scalar rIJMag;
   5
   6     scalar rIJMagSq;
   7
   8     label idI;
   9
  10     label idJ;
  11
  12     mol = this->begin();
  13
  14     molecule* molI = &mol();
  15
  16     molecule* molJ = &mol();
  17
  18     DynamicList<molecule*> molsToDelete;
  19
  20     forAll(directInteractionList_, dIL)
  21     {
  22         forAll(cellOccupancy_[dIL],cellIMols)
  23         {
  24             molI = cellOccupancy_[dIL][cellIMols];
  25
  26             forAll(directInteractionList_[dIL], interactingCells)
  27             {
  28                 List< molecule* > cellJ =
  29                     cellOccupancy_[directInteractionList_[dIL][interactingCells]];
  30
  31                 forAll(cellJ, cellJMols)
  32                 {
  33                     molJ = cellJ[cellJMols];
  34
  35 #                   include "moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H"
  36                 }
  37             }
  38
  39             forAll(cellOccupancy_[dIL],cellIOtherMols)
  40             {
  41                 molJ = cellOccupancy_[dIL][cellIOtherMols];
  42
  43                 if (molJ > molI)
  44                 {
  45 #                   include "moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H"
  46                 }
  47             }
  48         }
  49     }
  50
  51     forAll (molsToDelete, mTD)
  52     {
  53         deleteParticle(*(molsToDelete[mTD]));
  54     }
  55 }