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# Manual Reference Pages  -  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

### 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.

### Member Function Documentation

#### void sc::ShellRotation::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 sc::ShellRotation::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.

### Author

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 Version 2.3.1 SC::SHELLROTATION (3) Sun Apr 3 2016

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