# | 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 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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