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

Comparing branches/development/src/parallel/ForceDecomposition.cpp (file contents):
Revision 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC vs.
Revision 1586 by gezelter, Tue Jun 21 06:34:35 2011 UTC

#	Line 88 \| Line 88 \| namespace OpenMD {
88		}
89
90		void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) {
91	<
92	<	// Still Missing atype, skippedCharge, potVec pot,
91	>
92	>	sdat.atype = ff_->getAtomType(idents[atom1]);
93	>
94	>	// Still Missing skippedCharge
95		if (storageLayout_ & DataStorage::dslElectroFrame) {
96		sdat.eFrame = &(snap_->atomData.electroFrame[atom1]);
97		}
#	Line 110 \| Line 112 \| namespace OpenMD {
112		sdat.dfrhodrho = &(snap_->atomData.functionalDerivative[atom1]);
113		}
114
115	+	if (storageLayout_ & DataStorage::dslSkippedCharge) {
116	+	sdat.skippedCharge = &(snap_->atomData.skippedCharge[atom1]);
117	+	}
118	+
119		if (storageLayout_ & DataStorage::dslParticlePot) {
120		sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
121		}
#	Line 147 \| Line 153 \| namespace OpenMD {
153		if (dispmax > skinThickness_) {
154		cerr << "build because movement\n";
155		return (dispmax > skinThickness_);
156	+	} else {
157	+	cerr << "not rebuilding\n";
158		}
159		return false;
160		}

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