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sc::ShellRotation Class Reference Compute the transformation matrices that maps a set of Cartesian functions into to another set of Cartesian functions in a rotated coordinate system. More... #include <shellrot.h> List of all members. Public Methods void  init (int a, SymmetryOperation &, const Ref< Integral > &)   Initialize the ShellRotation for Cartesian functions, given the angular momentum, a symmetry operation, and an Integral object. void  init_pure (int a, SymmetryOperation &, const Ref< Integral > &)   Initialize the ShellRotation for solid harmonic functions, given the angular momentum, a symmetry operation, and an Integral object.   ShellRotation (int n)   Initialize this ShellRotation to hold a n by n transformation.   ShellRotation (const ShellRotation &)   Initialize this from another ShellRotation.   ShellRotation (int a, SymmetryOperation &, const Ref< Integral > &, int pure=0)   Initialize using init(...) or, if pure is nonzero, init_pure(...). virtual  ~ShellRotation () ShellRotation &  operator= (const ShellRotation &)   Assign this to another shell rotation. int  am () const   Return the angular momentum. int  dim () const   Return the number of functions in a shell. double &  operator() (int i, int j)   Return an element of the transform matrix. double *  operator[] (int i)   Return a row of the transform matrix. ShellRotation  operate (const ShellRotation &rot) const   Returns the result of rot*this. ShellRotation  transform (const ShellRotation &rot) const   Returns the result of rot*this*transpose(rot). double  trace () const   Return the trace of the transformation. void  print () const   Print the object to ExEnv::out0(). Detailed Description Compute the transformation matrices that maps a set of Cartesian functions into to another set of Cartesian functions in a rotated coordinate system. The documentation for this class was generated from the following file: shellrot.h