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root/group/trunk/OOPSE/libmdtools/Atom.hpp
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Comparing trunk/OOPSE/libmdtools/Atom.hpp (file contents):
Revision 670 by mmeineke, Thu Aug 7 21:47:18 2003 UTC vs.
Revision 689 by tim, Tue Aug 12 19:56:49 2003 UTC

# Line 13 | Line 13 | class Atom{ (public)
13    Atom(int theIndex, SimState* theConfig );
14    virtual ~Atom() {}
15  
16 <  void setCoords(void);
16 >  virtual void setCoords(void);
17  
18   //   void addAtoms(int nAdded, double* Apos, double* Avel, double* Afrc,
19   //                 double* Atrq, double* AAmat, double* Amu,
# Line 143 | Line 143 | class DirectionalAtom : public Atom { (public)
143      sux = 0.0;
144      suy = 0.0;
145      suz = 0.0;
146 +    myMu = 0.0;
147    }
148    virtual ~DirectionalAtom() {}
149  
150 +  virtual void setCoords(void);
151 +
152    void printAmatIndex( void );
153  
154    int isDirectional(void) { return 1; }
# Line 218 | Line 221 | class DirectionalAtom : public Atom { (public)
221   private:
222    int dIndex;
223  
224 +  double myMu;
225 +
226    double sux, suy, suz; // the standard unit vector    ( body fixed )
227    double jx, jy, jz;    // the angular momentum vector ( body fixed )
228    

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