| 920 |
|
} |
| 921 |
|
|
| 922 |
|
RealType Thermo::getHullVolume(){ |
| 923 |
– |
Snapshot* snap = info_->getSnapshotManager()->getCurrentSnapshot(); |
| 924 |
– |
|
| 923 |
|
#ifdef HAVE_QHULL |
| 924 |
+ |
Snapshot* snap = info_->getSnapshotManager()->getCurrentSnapshot(); |
| 925 |
|
if (!snap->hasHullVolume) { |
| 926 |
|
Hull* surfaceMesh_; |
| 927 |
< |
|
| 927 |
> |
|
| 928 |
|
Globals* simParams = info_->getSimParams(); |
| 929 |
|
const std::string ht = simParams->getHULL_Method(); |
| 930 |
|
|
| 956 |
|
// Compute surface Mesh |
| 957 |
|
surfaceMesh_->computeHull(localSites_); |
| 958 |
|
snap->setHullVolume(surfaceMesh_->getVolume()); |
| 959 |
< |
|
| 959 |
> |
|
| 960 |
|
delete surfaceMesh_; |
| 961 |
|
} |
| 962 |
< |
|
| 962 |
> |
|
| 963 |
|
return snap->getHullVolume(); |
| 964 |
|
#else |
| 965 |
|
return 0.0; |