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root/group/trunk/OOPSE/libmdtools/DirectionalAtom.hpp
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Comparing trunk/OOPSE/libmdtools/DirectionalAtom.hpp (file contents):
Revision 1126 by tim, Tue Apr 20 05:39:38 2004 UTC vs.
Revision 1452 by tim, Mon Aug 23 15:11:36 2004 UTC

# Line 46 | Line 46 | class DirectionalAtom : public Atom { (public)
46    void setJ( double theJ[3] );
47  
48    void getTrq( double theT[3] );
49 +  void setTrq( double theT[3] );
50    void addTrq( double theT[3] );
51  
52    void setI( double the_I[3][3] );
# Line 54 | Line 55 | class DirectionalAtom : public Atom { (public)
55    void lab2Body( double r[3] );
56    void body2Lab( double r[3] );
57  
58 +  double getZangle( );
59 +  void setZangle( double zAng );
60 +  void addZangle( double zAng );
61 +
62    // Four functions added for derivatives with respect to Euler Angles:
63    // (Needed for minimization routines):
64  

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