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sc::ShellRotation(3)		     MPQC		  sc::ShellRotation(3)

NAME
       sc::ShellRotation - Compute the transformation matrices that maps a set
       of Cartesian functions to another set of	Cartesian functions in a
       rotated coordinate system.

SYNOPSIS
       #include	<shellrot.h>

   Public Member Functions
       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(...).
       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 to another set	of Cartesian functions in a rotated coordinate
       system.

Author
       Generated automatically by Doxygen for MPQC from	the source code.

Version	2.3.1			Sat Apr	2 2022		  sc::ShellRotation(3)

NAME | SYNOPSIS | Detailed Description | Author

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