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 |
|
|