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root/OpenMD/trunk/src/parallel/ForceDecomposition.cpp
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Comparing:
branches/development/src/parallel/ForceDecomposition.cpp (file contents), Revision 1744 by gezelter, Tue Jun 5 18:07:08 2012 UTC vs.
trunk/src/parallel/ForceDecomposition.cpp (file contents), Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

# Line 49 | Line 49 | namespace OpenMD {
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 98 | Line 99 | namespace OpenMD {
99      sdat.atype = atypesLocal[atom1];
100  
101      sdat.pot = &embeddingPot;
102 +    sdat.excludedPot = &excludedSelfPot;
103  
104      if (storageLayout_ & DataStorage::dslElectroFrame) {
105        sdat.eFrame = &(snap_->atomData.electroFrame[atom1]);

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