| 51 |
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#define PRIMITIVES_DIRECTIONALATOM_HPP |
| 52 |
|
|
| 53 |
|
#include "primitives/Atom.hpp" |
| 54 |
< |
#include "types/DirectionalAtomType.hpp" |
| 54 |
> |
#include "types/AtomType.hpp" |
| 55 |
|
namespace OpenMD{ |
| 56 |
|
class DirectionalAtom : public Atom { |
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|
public: |
| 58 |
< |
DirectionalAtom(DirectionalAtomType* dAtomType); |
| 58 |
> |
DirectionalAtom(AtomType* dAtomType); |
| 59 |
|
/** |
| 60 |
|
* Returns the inertia tensor of this stuntdouble |
| 61 |
|
* @return the inertia tensor of this stuntdouble |
| 95 |
|
virtual std::vector<RealType> getGrad(); |
| 96 |
|
|
| 97 |
|
virtual void accept(BaseVisitor* v); |
| 98 |
< |
|
| 99 |
< |
protected: |
| 98 |
> |
|
| 99 |
> |
private: |
| 100 |
> |
Mat3x3d I_; |
| 101 |
|
RotMat3x3d electroBodyFrame_; // body fixed standard eletrostatic frame |
| 102 |
|
}; |
| 103 |
|
}//namespace OpenMD |
