# FreeBSD Manual Pages

```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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