| 90 |
|
|
| 91 |
|
statWriter = createStatWriter(); |
| 92 |
|
|
| 93 |
< |
dumpWriter->writeDump(); |
| 93 |
> |
dumpWriter->writeDumpAndEor(); |
| 94 |
|
|
| 95 |
|
//save statistics, before writeStat, we must save statistics |
| 96 |
|
thermo.saveStat(); |
| 151 |
|
} |
| 152 |
|
|
| 153 |
|
if (currentSnapshot_->getTime() >= currSample) { |
| 154 |
< |
dumpWriter->writeDump(); |
| 155 |
< |
//eorWriter->writeDump(); |
| 154 |
> |
dumpWriter->writeDumpAndEor(); |
| 155 |
|
currSample += sampleTime; |
| 156 |
|
} |
| 157 |
|
|
| 171 |
|
|
| 172 |
|
|
| 173 |
|
void VelocityVerletIntegrator::finalize() { |
| 174 |
+ |
dumpWriter->writeEor(); |
| 175 |
|
|
| 176 |
|
delete dumpWriter; |
| 177 |
|
delete statWriter; |
| 195 |
|
} |
| 196 |
|
|
| 197 |
|
DumpWriter* VelocityVerletIntegrator::createDumpWriter() { |
| 198 |
< |
return new DumpWriter(info_, info_->getDumpFileName()); |
| 198 |
> |
return new DumpWriter(info_); |
| 199 |
|
} |
| 200 |
|
|
| 201 |
|
StatWriter* VelocityVerletIntegrator::createStatWriter() { |