| # | Line 143 | Line 143 | namespace OpenMD { | |
|---|---|---|
| 143 | ||
| 144 | void VelocityVerletIntegrator::postStep() { | |
| 145 | ||
| 146 | – | //save snapshot |
| 147 | – | info_->getSnapshotManager()->advance(); |
| 148 | – | |
| 149 | – | //increase time |
| 150 | – | snap->increaseTime(dt); |
| 146 | ||
| 147 | if (needVelocityScaling) { | |
| 148 | if (snap->getTime() >= currThermal) { | |
| # | Line 192 | Line 187 | namespace OpenMD { | |
| 187 | resetIntegrator(); | |
| 188 | currReset += resetTime; | |
| 189 | } | |
| 190 | + | //save snapshot |
| 191 | + | info_->getSnapshotManager()->advance(); |
| 192 | + | |
| 193 | + | //increase time |
| 194 | + | snap->increaseTime(dt); |
| 195 | + | |
| 196 | } | |
| 197 | ||
| 198 | ||
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