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root/group/trunk/OOPSE/libmdtools/SimState.hpp
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Comparing trunk/OOPSE/libmdtools/SimState.hpp (file contents):
Revision 1451 by tim, Wed May 12 16:38:45 2004 UTC vs.
Revision 1452 by tim, Mon Aug 23 15:11:36 2004 UTC

# Line 21 | Line 21 | class SimState{ (public)
21                          double** trq,
22                          double** Amat,
23                          double** mu,  
24 <                        double** ul);
24 >                        double** ul,
25 >                        double** quat);
26    
27  
28    double* getFrcArray ( void ) { return frc; }
# Line 29 | Line 30 | class SimState{ (public)
30    double* getTrqArray ( void ) { return trq; }
31    double* getAmatArray( void ) { return Amat; }
32    double* getUlArray  ( void ) { return ul; }
33 +  double* getQuatArray(void) {return quat;}
34    
35   private:
36    int nElements;        // the number of elements in the arrays
# Line 41 | Line 43 | class SimState{ (public)
43    double* Amat; // the rotation matrix
44    double* mu;   // the dipole moment array
45    double* ul;   // the lab frame unit directional vector
46 +  double* quat; // the quaternion array
47   };
48  
49  

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