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; |