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#define PRIMITIVES_DIRECTIONALATOM_HPP |
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|
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#include "primitives/Atom.hpp" |
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< |
#include "types/DirectionalAtomType.hpp" |
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> |
#include "types/AtomType.hpp" |
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namespace OpenMD{ |
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class DirectionalAtom : public Atom { |
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public: |
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< |
DirectionalAtom(DirectionalAtomType* dAtomType); |
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> |
DirectionalAtom(AtomType* dAtomType); |
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/** |
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* Returns the inertia tensor of this stuntdouble |
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* @return the inertia tensor of this stuntdouble |
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virtual std::vector<RealType> getGrad(); |
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|
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virtual void accept(BaseVisitor* v); |
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< |
|
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< |
protected: |
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< |
RotMat3x3d electroBodyFrame_; // body fixed standard eletrostatic frame |
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> |
|
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> |
private: |
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> |
Mat3x3d I_; |
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> |
Vector3d dipole_; // body fixed dipole vector |
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> |
Mat3x3d quadrupole_; // body fixed quadrupole tensor |
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}; |
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}//namespace OpenMD |
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#endif //PRIMITIVES_DIRECTIONALATOM_HPP |
