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; |