# | Line 49 | Line 49 | namespace OpenMD { | |
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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(); | |
# | Line 171 | Line 172 | namespace OpenMD { | |
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 | } |
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