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root/OpenMD/branches/development/src/lattice/Lattice.hpp
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Comparing trunk/src/lattice/Lattice.hpp (file contents):
Revision 486 by tim, Tue Apr 12 22:10:07 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 47 | Line 47 | namespace oopse {
47  
48   namespace oopse {
49  
50 < class Lattice{
50 >  class Lattice{
51    protected:
52      Lattice(){
53        
# Line 63 | Line 63 | class Lattice{
63  
64      void getLatticePointsPos(std::vector<Vector3d>& latticePos, int nx, int ny, int nz);
65  
66 <     std::vector<Vector3d> getLatticePointsOrt() {return cellSitesOrt;}
66 >    std::vector<Vector3d> getLatticePointsOrt() {return cellSitesOrt;}
67      
68      //get lattice constant of unit cell
69 <    virtual  std::vector<double> getLatticeConstant() =0;
69 >    virtual  std::vector<RealType> getLatticeConstant() =0;
70  
71      //set lattice constant of unit cell
72 <    virtual void setLatticeConstant(const  std::vector<double>& lc)=0;
72 >    virtual void setLatticeConstant(const  std::vector<RealType>& lc)=0;
73  
74      //get origin of unit cell
75      Vector3d getOrigin( ) {return origin;}
# Line 84 | Line 84 | class Lattice{
84      
85      int nCellSites;
86      Vector3d origin;    
87 <     std::vector<Vector3d> cellSitesPos;
88 <     std::vector<Vector3d> cellSitesOrt;
87 >    std::vector<Vector3d> cellSitesPos;
88 >    std::vector<Vector3d> cellSitesOrt;
89      Vector3d cellLen;
90 < };
90 >  };
91  
92  
93   }

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