[ViewVC] Diff of: OpenMD/trunk/src/parallel/ForceDecomposition.cpp

Comparing branches/development/src/parallel/ForceDecomposition.cpp (file contents):
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC vs.
Revision 1744 by gezelter, Tue Jun 5 18:07:08 2012 UTC

#	Line 126 \| Line 126 \| namespace OpenMD {
126		if (storageLayout_ & DataStorage::dslParticlePot) {
127		sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
128		}
129	+
130	+	if (storageLayout_ & DataStorage::dslFlucQPosition) {
131	+	sdat.flucQ = &(snap_->atomData.flucQPos[atom1]);
132	+	}
133	+
134	+	if (storageLayout_ & DataStorage::dslFlucQForce) {
135	+	sdat.dVdFQ = &(snap_->atomData.flucQFrc[atom1]);
136	+	}
137		}
138
139		bool ForceDecomposition::checkNeighborList() {
#	Line 163 \| Line 171 \| namespace OpenMD {
171		}
172
173		void ForceDecomposition::addToHeatFlux(Vector3d hf) {
174	<	snap_->frameData.conductiveHeatFlux += hf;
174	>	Vector3d chf = snap_->getConductiveHeatFlux();
175	>	chf += hf;
176	>	snap_->setConductiveHeatFlux(chf);
177		}
178		void ForceDecomposition::setHeatFlux(Vector3d hf) {
179	<	snap_->frameData.conductiveHeatFlux = hf;
179	>	snap_->setConductiveHeatFlux(hf);
180		}
181
182		}

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