| # | Line 233 | Line 233 | namespace OpenMD { | |
|---|---|---|
| 233 | ||
| 234 | kinetic *= 0.5; | |
| 235 | eTemp = (2.0 * kinetic) / | |
| 236 | < | (info_->getNFluctuatingCharges() * PhysicalConstants::kb ); |
| 236 | > | (info_->getNFluctuatingCharges() * PhysicalConstants::kb ); |
| 237 | ||
| 238 | snap->setElectronicTemperature(eTemp); | |
| 239 | } | |
| # | Line 957 | Line 957 | namespace OpenMD { | |
| 957 | // Compute surface Mesh | |
| 958 | surfaceMesh_->computeHull(localSites_); | |
| 959 | snap->setHullVolume(surfaceMesh_->getVolume()); | |
| 960 | + | |
| 961 | + | delete surfaceMesh_; |
| 962 | } | |
| 963 | + | |
| 964 | return snap->getHullVolume(); | |
| 965 | #else | |
| 966 | return 0.0; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |