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root/OpenMD/trunk/src/lattice/CubicLattice.cpp
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Comparing trunk/src/lattice/CubicLattice.cpp (file contents):
Revision 485 by tim, Tue Apr 12 22:07:45 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 43 | Line 43 | namespace oopse {
43  
44   namespace oopse {
45  
46 < CubicLattice::CubicLattice(){
47 <  latticeParam = 1.0;
46 >  CubicLattice::CubicLattice(){
47 >    latticeParam = 1.0;
48    
49 <  cellLen[0] = latticeParam;
50 <  cellLen[1] = latticeParam;
51 <  cellLen[2] = latticeParam;
49 >    cellLen[0] = latticeParam;
50 >    cellLen[1] = latticeParam;
51 >    cellLen[2] = latticeParam;
52    
53 < }
53 >  }
54  
55 < std::vector<double> CubicLattice::getLatticeConstant(){
56 <   std::vector<double> lc;
55 >  std::vector<RealType> CubicLattice::getLatticeConstant(){
56 >    std::vector<RealType> lc;
57    
58 <  lc.push_back(cellLen.x());
59 <  return lc;
60 < }
58 >    lc.push_back(cellLen.x());
59 >    return lc;
60 >  }
61  
62 < void CubicLattice::setLatticeConstant(const  std::vector<double>& lc){
62 >  void CubicLattice::setLatticeConstant(const  std::vector<RealType>& lc){
63    
64 <  if(lc.size() < 1){
65 <    std::cerr << "CubicLattice::setLatticeConstant Error: the size of lattice constant vector  is 0" << std::endl;
66 <    exit(1);
67 <  }
68 <  else if (lc.size() > 1){
69 <    std::cerr << "CubicLattice::setLatticeConstant Warning: the size of lattice constant vector  is " << lc.size() << std::endl;
70 <  }
64 >    if(lc.size() < 1){
65 >      std::cerr << "CubicLattice::setLatticeConstant Error: the size of lattice constant vector  is 0" << std::endl;
66 >      exit(1);
67 >    }
68 >    else if (lc.size() > 1){
69 >      std::cerr << "CubicLattice::setLatticeConstant Warning: the size of lattice constant vector  is " << lc.size() << std::endl;
70 >    }
71    
72 <  latticeParam = lc[0];
72 >    latticeParam = lc[0];
73    
74 <  cellLen[0] = latticeParam;
75 <  cellLen[1] = latticeParam;
76 <  cellLen[2] = latticeParam;
74 >    cellLen[0] = latticeParam;
75 >    cellLen[1] = latticeParam;
76 >    cellLen[2] = latticeParam;
77    
78 <  update();
79 < }
78 >    update();
79 >  }
80  
81   }

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