| 196 |
|
currThermal = thermalTime; |
| 197 |
|
currStatus = statusTime; |
| 198 |
|
|
| 199 |
< |
dumpOut->writeDump( info->currTime ); |
| 200 |
< |
statOut->writeStat( info->currTime ); |
| 199 |
> |
dumpOut->writeDump( info->getTime() ); |
| 200 |
> |
statOut->writeStat( info->getTime() ); |
| 201 |
|
|
| 202 |
|
readyCheck(); |
| 203 |
|
|
| 207 |
|
MPIcheckPoint(); |
| 208 |
|
#endif // is_mpi |
| 209 |
|
|
| 210 |
< |
while( info->currTime < runTime ){ |
| 210 |
> |
while( info->getTime() < runTime ){ |
| 211 |
|
|
| 212 |
< |
if( (info->currTime+dt) >= currStatus ){ |
| 212 |
> |
if( (info->getTime()+dt) >= currStatus ){ |
| 213 |
|
calcPot = 1; |
| 214 |
|
calcStress = 1; |
| 215 |
|
} |
| 216 |
|
|
| 217 |
|
integrateStep( calcPot, calcStress ); |
| 218 |
|
|
| 219 |
< |
info->currTime += dt; |
| 220 |
< |
info->setTime(info->currTime); |
| 219 |
> |
info->incrTime(dt); |
| 220 |
|
|
| 221 |
|
if( info->setTemp ){ |
| 222 |
< |
if( info->currTime >= currThermal ){ |
| 222 |
> |
if( info->getTime() >= currThermal ){ |
| 223 |
|
tStats->velocitize(); |
| 224 |
|
currThermal += thermalTime; |
| 225 |
|
} |
| 226 |
|
} |
| 227 |
|
|
| 228 |
< |
if( info->currTime >= currSample ){ |
| 229 |
< |
dumpOut->writeDump( info->currTime ); |
| 228 |
> |
if( info->getTime() >= currSample ){ |
| 229 |
> |
dumpOut->writeDump( info->getTime() ); |
| 230 |
|
currSample += sampleTime; |
| 231 |
|
} |
| 232 |
|
|
| 233 |
< |
if( info->currTime >= currStatus ){ |
| 234 |
< |
statOut->writeStat( info->currTime ); |
| 233 |
> |
if( info->getTime() >= currStatus ){ |
| 234 |
> |
statOut->writeStat( info->getTime() ); |
| 235 |
|
calcPot = 0; |
| 236 |
|
calcStress = 0; |
| 237 |
|
currStatus += statusTime; |
| 245 |
|
|
| 246 |
|
} |
| 247 |
|
|
| 248 |
< |
dumpOut->writeFinal(info->currTime); |
| 248 |
> |
dumpOut->writeFinal(info->getTime()); |
| 249 |
|
|
| 250 |
|
delete dumpOut; |
| 251 |
|
delete statOut; |
