# | Line 1186 | Line 1186 | namespace OpenMD { | |
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1186 | idat.A1 = &(snap_->atomData.aMat[atom1]); | |
1187 | idat.A2 = &(snap_->atomData.aMat[atom2]); | |
1188 | } | |
1189 | + | |
1190 | + | RealType ct = dot(idat.A1->getColumn(2), idat.A2->getColumn(2)); |
1191 | ||
1192 | if (storageLayout_ & DataStorage::dslTorque) { | |
1193 | idat.t1 = &(snap_->atomData.torque[atom1]); |
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