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root/group/trunk/OOPSE-4/src/primitives/DirectionalAtom.hpp
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Comparing trunk/OOPSE-4/src/primitives/DirectionalAtom.hpp (file contents):
Revision 1492 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 1709 by gezelter, Thu Nov 4 16:22:03 2004 UTC

# Line 20 | Line 20 | class DirectionalAtom : public Atom { (public)
20        for (int j=0; j < 3; j++)
21          sU[i][j] = 0.0;
22  
23 +    is_linear = false;
24 +    linear_axis =  -1;
25 +    momIntTol = 1e-6;
26    }
27    virtual ~DirectionalAtom() {}
28  
# Line 50 | Line 53 | class DirectionalAtom : public Atom { (public)
53  
54    void setI( double the_I[3][3] );
55    void getI( double the_I[3][3] );
56 +
57 +  bool isLinear() {return is_linear;}
58 +  int linearAxis() {return linear_axis;}
59    
60    void lab2Body( double r[3] );
61    void body2Lab( double r[3] );
# Line 80 | Line 86 | class DirectionalAtom : public Atom { (public)
86    double Iyx, Iyy, Iyz;
87    double Izx, Izy, Izz;
88  
89 +  bool is_linear;
90 +  int linear_axis;
91 +  double momIntTol;
92 +
93   };
94  
95   #endif

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