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 |
|
} |