# | Line 104 | Line 104 | namespace oopse { | |
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104 | setA(m *getA()); | |
105 | } | |
106 | ||
107 | < | std::vector<double> DirectionalAtom::getGrad() { |
108 | < | std::vector<double> grad(6, 0.0); |
107 | > | std::vector<RealType> DirectionalAtom::getGrad() { |
108 | > | std::vector<RealType> grad(6, 0.0); |
109 | Vector3d force; | |
110 | Vector3d torque; | |
111 | Vector3d myEuler; | |
112 | < | double phi, theta, psi; |
113 | < | double cphi, sphi, ctheta, stheta; |
112 | > | RealType phi, theta, psi; |
113 | > | RealType cphi, sphi, ctheta, stheta; |
114 | Vector3d ephi; | |
115 | Vector3d etheta; | |
116 | Vector3d epsi; |
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