| 329 |
|
|
| 330 |
|
finalOut << nAtoms << "\n"; |
| 331 |
|
|
| 332 |
< |
finalOut << currentTime << "\t" |
| 333 |
< |
<< entry_plug->box_x << "\t" |
| 334 |
< |
<< entry_plug->box_y << "\t" |
| 335 |
< |
<< entry_plug->box_z << "\n"; |
| 332 |
> |
finalOut << entry_plug->box_x << "\t" |
| 333 |
> |
<< entry_plug->box_y << "\t" |
| 334 |
> |
<< entry_plug->box_z << "\n"; |
| 335 |
|
|
| 336 |
|
for( i=0; i<nAtoms; i++ ){ |
| 337 |
|
|
| 386 |
|
if( worldRank == 0 ){ |
| 387 |
|
finalOut << entry_plug->mpiSim->getTotAtoms() << "\n"; |
| 388 |
|
|
| 389 |
< |
finalOut << currentTime << "\t" |
| 390 |
< |
<< entry_plug->box_x << "\t" |
| 391 |
< |
<< entry_plug->box_y << "\t" |
| 392 |
< |
<< entry_plug->box_z << "\n"; |
| 394 |
< |
|
| 389 |
> |
finalOut << entry_plug->box_x << "\t" |
| 390 |
> |
<< entry_plug->box_y << "\t" |
| 391 |
> |
<< entry_plug->box_z << "\n"; |
| 392 |
> |
|
| 393 |
|
masterIndex = 0; |
| 394 |
|
for( i=0; i<nAtoms; i++ ){ |
| 395 |
|
|