# | Line 10 | Line 10 | class MoLocator{ | |
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10 | #include "ForceFields.hpp" | |
11 | using namespace std; | |
12 | ||
13 | + | //convert lattice vector to rotation matrix |
14 | + | void latVec2RotMat(const Vector3d& lv, double rotMat[3][3]); |
15 | + | |
16 | class MoLocator{ | |
17 | ||
18 | public: | |
# | Line 21 | Line 24 | class MoLocator{ (private) | |
24 | private: | |
25 | ||
26 | void calcRefCoords( void ); | |
27 | < | |
27 | > | |
28 | MoleculeStamp* myStamp; | |
29 | ForceFields* myFF; | |
30 |
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