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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 1290 by cli2, Wed Sep 10 19:51:45 2008 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 38 | Line 38
38   * University of Notre Dame has been advised of the possibility of
39   * such damages.
40   */
41 <
41 >
42 > #include <cstdlib>
43   #include "lattice/CubicLattice.hpp"
44  
45   namespace oopse {
46  
47 < CubicLattice::CubicLattice(){
48 <  latticeParam = 1.0;
47 >  CubicLattice::CubicLattice(){
48 >    latticeParam = 1.0;
49    
50 <  cellLen[0] = latticeParam;
51 <  cellLen[1] = latticeParam;
52 <  cellLen[2] = latticeParam;
50 >    cellLen[0] = latticeParam;
51 >    cellLen[1] = latticeParam;
52 >    cellLen[2] = latticeParam;
53    
54 < }
54 >  }
55  
56 < std::vector<double> CubicLattice::getLatticeConstant(){
57 <   std::vector<double> lc;
56 >  std::vector<RealType> CubicLattice::getLatticeConstant(){
57 >    std::vector<RealType> lc;
58    
59 <  lc.push_back(cellLen.x());
60 <  return lc;
61 < }
59 >    lc.push_back(cellLen.x());
60 >    return lc;
61 >  }
62  
63 < void CubicLattice::setLatticeConstant(const  std::vector<double>& lc){
63 >  void CubicLattice::setLatticeConstant(const  std::vector<RealType>& lc){
64    
65 <  if(lc.size() < 1){
66 <    std::cerr << "CubicLattice::setLatticeConstant Error: the size of lattice constant vector  is 0" << std::endl;
67 <    exit(1);
68 <  }
69 <  else if (lc.size() > 1){
70 <    std::cerr << "CubicLattice::setLatticeConstant Warning: the size of lattice constant vector  is " << lc.size() << std::endl;
71 <  }
65 >    if(lc.size() < 1){
66 >      std::cerr << "CubicLattice::setLatticeConstant Error: the size of lattice constant vector  is 0" << std::endl;
67 >      exit(1);
68 >    }
69 >    else if (lc.size() > 1){
70 >      std::cerr << "CubicLattice::setLatticeConstant Warning: the size of lattice constant vector  is " << lc.size() << std::endl;
71 >    }
72    
73 <  latticeParam = lc[0];
73 >    latticeParam = lc[0];
74    
75 <  cellLen[0] = latticeParam;
76 <  cellLen[1] = latticeParam;
77 <  cellLen[2] = latticeParam;
75 >    cellLen[0] = latticeParam;
76 >    cellLen[1] = latticeParam;
77 >    cellLen[2] = latticeParam;
78    
79 <  update();
80 < }
79 >    update();
80 >  }
81  
82   }

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