| 25 | 
  | 
 | 
| 26 | 
  | 
  MolToProcMap = new int[entryPlug->n_mol]; | 
| 27 | 
  | 
  MolComponentType = new int[entryPlug->n_mol]; | 
| 28 | 
– | 
 | 
| 28 | 
  | 
  AtomToProcMap = new int[entryPlug->n_atoms]; | 
| 29 | 
  | 
 | 
| 30 | 
  | 
  mpiSim = this; | 
| 149 | 
  | 
          MolToProcMap[i] = which_proc; | 
| 150 | 
  | 
          AtomsPerProc[which_proc] += add_atoms; | 
| 151 | 
  | 
          for (j = 0 ; j < add_atoms; j++ ) { | 
| 152 | 
< | 
            atomIndex++; | 
| 153 | 
< | 
            AtomToProcMap[atomIndex] = which_proc; | 
| 152 | 
> | 
            AtomToProcMap[atomIndex] = which_proc; | 
| 153 | 
> | 
            atomIndex++; | 
| 154 | 
  | 
          } | 
| 155 | 
  | 
          done = 1; | 
| 156 | 
  | 
          continue; | 
| 172 | 
  | 
          MolToProcMap[i] = which_proc; | 
| 173 | 
  | 
          AtomsPerProc[which_proc] += add_atoms; | 
| 174 | 
  | 
          for (j = 0 ; j < add_atoms; j++ ) { | 
| 175 | 
< | 
            atomIndex++; | 
| 176 | 
< | 
            AtomToProcMap[atomIndex] = which_proc; | 
| 175 | 
> | 
            AtomToProcMap[atomIndex] = which_proc; | 
| 176 | 
> | 
            atomIndex++; | 
| 177 | 
  | 
          } | 
| 178 | 
  | 
          done = 1; | 
| 179 | 
  | 
          continue; | 
| 194 | 
  | 
          MolToProcMap[i] = which_proc; | 
| 195 | 
  | 
          AtomsPerProc[which_proc] += add_atoms; | 
| 196 | 
  | 
          for (j = 0 ; j < add_atoms; j++ ) { | 
| 197 | 
< | 
            atomIndex++; | 
| 198 | 
< | 
            AtomToProcMap[atomIndex] = which_proc; | 
| 199 | 
< | 
          } | 
| 197 | 
> | 
            AtomToProcMap[atomIndex] = which_proc; | 
| 198 | 
> | 
            atomIndex++; | 
| 199 | 
> | 
           } | 
| 200 | 
  | 
          done = 1; | 
| 201 | 
  | 
          continue; | 
| 202 | 
  | 
        } else { | 
| 285 | 
  | 
  local_index = 0; | 
| 286 | 
  | 
  for (i = 0; i < mpiPlug->nAtomsGlobal; i++) { | 
| 287 | 
  | 
    if (AtomToProcMap[i] == mpiPlug->myNode) { | 
| 289 | 
– | 
      local_index++; | 
| 288 | 
  | 
      globalIndex[local_index] = i; | 
| 289 | 
+ | 
      local_index++; | 
| 290 | 
  | 
    } | 
| 291 | 
  | 
  } | 
| 292 | 
  | 
  |