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root/group/trunk/OOPSE/utils/sysbuilder/latticeBuilder.hpp
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Comparing trunk/OOPSE/utils/sysbuilder/latticeBuilder.hpp (file contents):
Revision 816 by chuckv, Mon Aug 18 20:59:47 2003 UTC vs.
Revision 817 by gezelter, Fri Oct 24 17:36:18 2003 UTC

# Line 6 | Line 6
6   #define HCP_LATTICE_TYPE  3
7   #define HCPWATER_LATTICE_TYPE 4
8   #define DIAMOND_LATTICE_TYPE 5
9 + #define ORTHORHOMBIC_LATTICE_TYPE 6
10   #define UNKNOWN_LATTICE_TYPE  0
11  
12   class Lattice{
13  
14   public:
15    Lattice(int latticeType,double latticeParameter);
16 +  Lattice(int latticeType,double latticeParameters[3]);
17    ~Lattice(void);
18    
19    int getLatticePoints(double** thePosX, double** thePosY,
# Line 20 | Line 22 | class Lattice{ (public)
22  
23    int getNpoints(void){return nCellSites;}
24  
25 <
25 >  void setStartX(double sx) {startX = sx;}
26 >  void setStartY(double sy) {startY = sy;}
27 >  void setStartZ(double sz) {startZ = sz;}
28    
29  
26 –
30   private:
31  
32    
# Line 31 | Line 34 | class Lattice{ (public)
34    int createBccLattice(double latticeSpacing);
35    int createHcpLattice(double latticeSpacing);
36    int createHcpWaterLattice(double latticeSpacing);
37 +  int createOrthorhombicLattice(double latticeSpacings[3]);
38  
39    int myLatticeType;
40    double cellLength;
41 +  double cellLengthX;
42 +  double cellLengthY;
43 +  double cellLengthZ;
44 +  double startX;
45 +  double startY;
46 +  double startZ;
47    int nCellSites;
48    double* latticePosX;
49    double* latticePosY;

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