# | Line 178 | Line 178 | namespace oopse { | |
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178 | //project the inertial moment of directional atoms into this rigid body | |
179 | for (std::size_t i = 0; i < atoms_.size(); i++) { | |
180 | if (atoms_[i]->isDirectional()) { | |
181 | < | RectMatrix<double, 3, 3> Iproject = refOrients_[i].transpose() * atoms_[i]->getI(); |
182 | < | Itmp(0, 0) += Iproject(0, 0); |
183 | < | Itmp(1, 1) += Iproject(1, 1); |
184 | < | Itmp(2, 2) += Iproject(2, 2); |
181 | > | Itmp += refOrients_[i].transpose() * atoms_[i]->getI() * refOrients_[i]; |
182 | } | |
183 | } | |
184 |
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