Changes in src/linkedcell.hpp [0f4538:042f82]
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src/linkedcell.hpp
r0f4538 r042f82 11 11 #define LinkedAtoms list <atom *> 12 12 13 class LinkedCell 14 15 Vector max;// upper boundary16 Vector min;// lower boundary17 LinkedAtoms *LC;// linked cell list18 double RADIUS;// cell edge length19 int N[NDIM];// number of cells per axis20 int n[NDIM];// temporary variable for current cell per axis21 int index;// temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];13 class LinkedCell{ 14 public: 15 Vector max; // upper boundary 16 Vector min; // lower boundary 17 LinkedAtoms *LC; // linked cell list 18 double RADIUS; // cell edge length 19 int N[NDIM]; // number of cells per axis 20 int n[NDIM]; // temporary variable for current cell per axis 21 int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2]; 22 22 23 LinkedCell(); 24 LinkedCell(molecule *mol, double RADIUS); 25 ~LinkedCell(); 26 LinkedAtoms* GetCurrentCell(); 27 bool SetIndexToAtom(const atom &Walker); 28 bool SetIndexToVector(const Vector *x); 29 void GetNeighbourBounds(int lower[NDIM], int upper[NDIM]); 30 bool CheckBounds(); 23 LinkedCell(); 24 LinkedCell(molecule *mol, double RADIUS); 25 ~LinkedCell(); 26 LinkedAtoms* GetCurrentCell(); 27 bool SetIndexToAtom(atom *Walker); 28 bool SetIndexToVector(Vector *x); 29 bool CheckBounds(); 31 30 32 33 34 35 31 // not implemented yet 32 bool AddAtom(atom *Walker); 33 bool DeleteAtom(atom *Walker); 34 bool MoveAtom(atom *Walker); 36 35 }; 37 36
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