| 102 |
|
//save statistics, before writeStat, we must save statistics |
| 103 |
|
thermo.saveStat(); |
| 104 |
|
saveConservedQuantity(); |
| 105 |
+ |
if (simParams->getUseRNEMD()) |
| 106 |
+ |
rnemd_->getStatus(); |
| 107 |
+ |
|
| 108 |
|
statWriter->writeStat(currentSnapshot_->statData); |
| 109 |
|
|
| 110 |
|
currSample = sampleTime + currentSnapshot_->getTime(); |
| 184 |
|
//save statistics, before writeStat, we must save statistics |
| 185 |
|
thermo.saveStat(); |
| 186 |
|
saveConservedQuantity(); |
| 187 |
< |
statWriter->writeStat(currentSnapshot_->statData); |
| 187 |
> |
|
| 188 |
|
if (simParams->getUseRNEMD()) |
| 189 |
|
rnemd_->getStatus(); |
| 190 |
+ |
|
| 191 |
+ |
statWriter->writeStat(currentSnapshot_->statData); |
| 192 |
|
|
| 193 |
|
needPotential = false; |
| 194 |
|
needStress = false; |