| 49 |
|
namespace OpenMD { |
| 50 |
|
|
| 51 |
|
ForceDecomposition::ForceDecomposition(SimInfo* info, InteractionManager* iMan) : info_(info), interactionMan_(iMan), needVelocities_(false) { |
| 52 |
+ |
|
| 53 |
|
sman_ = info_->getSnapshotManager(); |
| 54 |
|
storageLayout_ = sman_->getStorageLayout(); |
| 55 |
|
ff_ = info_->getForceField(); |
| 172 |
|
} |
| 173 |
|
|
| 174 |
|
void ForceDecomposition::addToHeatFlux(Vector3d hf) { |
| 175 |
< |
snap_->frameData.conductiveHeatFlux += hf; |
| 175 |
> |
Vector3d chf = snap_->getConductiveHeatFlux(); |
| 176 |
> |
chf += hf; |
| 177 |
> |
snap_->setConductiveHeatFlux(chf); |
| 178 |
|
} |
| 179 |
|
void ForceDecomposition::setHeatFlux(Vector3d hf) { |
| 180 |
< |
snap_->frameData.conductiveHeatFlux = hf; |
| 180 |
> |
snap_->setConductiveHeatFlux(hf); |
| 181 |
|
} |
| 182 |
|
|
| 183 |
|
} |