# | Line 31 | Line 31 | DirectionalAtom::DirectionalAtom(DirectionalAtomType* | |
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31 | : Atom(dAtomType){ | |
32 | objType_= otDAtom; | |
33 | if (dAtomType->isMultipole()) { | |
34 | < | electroBodyFrame_ = dAtomType->getEletroBodyFrame(); |
34 | > | electroBodyFrame_ = dAtomType->getElectroBodyFrame(); |
35 | } | |
36 | } | |
37 | ||
# | Line 68 | Line 68 | std::vector<double> DirectionalAtom::getGrad() { | |
68 | } | |
69 | ||
70 | std::vector<double> DirectionalAtom::getGrad() { | |
71 | < | vector<double> grad(6, 0.0); |
71 | > | std::vector<double> grad(6, 0.0); |
72 | Vector3d force; | |
73 | Vector3d torque; | |
74 | Vector3d myEuler; |
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