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

Comparing branches/development/src/parallel/ForceDecomposition.cpp (file contents):
Revision 1576 by gezelter, Wed Jun 8 16:05:07 2011 UTC vs.
Revision 1581 by gezelter, Mon Jun 13 22:13:12 2011 UTC

#	Line 47 \| Line 47 \| namespace OpenMD {
47		using namespace std;
48		namespace OpenMD {
49
50	<	ForceDecomposition::ForceDecomposition(SimInfo* info) : info_(info) {
50	>	ForceDecomposition::ForceDecomposition(SimInfo* info, InteractionManager* iMan) : info_(info), interactionMan_(iMan) {
51		sman_ = info_->getSnapshotManager();
52		storageLayout_ = sman_->getStorageLayout();
53		ff_ = info_->getForceField();
#	Line 87 \| Line 87 \| namespace OpenMD {
87		cellOffsets_.push_back( Vector3i(1, -1,1) );
88		}
89
90	<	SelfData ForceDecomposition::fillSelfData(int atom1) {
91	<	SelfData sdat;
90	>	void ForceDecomposition::fillSelfData(SelfData sdat, int atom1) {
91	>
92		// Still Missing atype, skippedCharge, potVec pot,
93		if (storageLayout_ & DataStorage::dslElectroFrame) {
94		sdat.eFrame = &(snap_->atomData.electroFrame[atom1]);
#	Line 113 \| Line 113 \| namespace OpenMD {
113		if (storageLayout_ & DataStorage::dslParticlePot) {
114		sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
115		}
116	–
117	–	return sdat;
116		}
117
118		bool ForceDecomposition::checkNeighborList() {

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