.TH "sc::ShellRotation" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::ShellRotation \- \fBCompute\fP the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system\&.  

.SH SYNOPSIS
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.PP
.PP
\fC#include <shellrot\&.h>\fP
.SS "Public Member Functions"

.in +1c
.ti -1c
.RI "void \fBinit\fP (int a, \fBSymmetryOperation\fP &, const \fBRef\fP< \fBIntegral\fP > &)"
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.RI "Initialize the \fBShellRotation\fP for Cartesian functions, given the angular momentum, a symmetry operation, and an \fBIntegral\fP object\&. "
.ti -1c
.RI "void \fBinit_pure\fP (int a, \fBSymmetryOperation\fP &, const \fBRef\fP< \fBIntegral\fP > &)"
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.RI "Initialize the \fBShellRotation\fP for solid harmonic functions, given the angular momentum, a symmetry operation, and an \fBIntegral\fP object\&. "
.ti -1c
.RI "\fBShellRotation\fP (int n)"
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.RI "Initialize this \fBShellRotation\fP to hold a n by n transformation\&. "
.ti -1c
.RI "\fBShellRotation\fP (const \fBShellRotation\fP &)"
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.RI "Initialize this from another \fBShellRotation\fP\&. "
.ti -1c
.RI "\fBShellRotation\fP (int a, \fBSymmetryOperation\fP &, const \fBRef\fP< \fBIntegral\fP > &, int pure=0)"
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.RI "Initialize using init(\&.\&.\&.) or, if pure is nonzero, init_pure(\&.\&.\&.)\&. "
.ti -1c
.RI "\fBShellRotation\fP & \fBoperator=\fP (const \fBShellRotation\fP &)"
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.RI "Assign this to another shell rotation\&. "
.ti -1c
.RI "int \fBam\fP () const"
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.RI "Return the angular momentum\&. "
.ti -1c
.RI "int \fBdim\fP () const"
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.RI "Return the number of functions in a shell\&. "
.ti -1c
.RI "double & \fBoperator()\fP (int i, int j)"
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.RI "Return an element of the transform matrix\&. "
.ti -1c
.RI "double * \fBoperator[]\fP (int i)"
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.RI "Return a row of the transform matrix\&. "
.ti -1c
.RI "\fBShellRotation\fP \fBoperate\fP (const \fBShellRotation\fP &rot) const"
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.RI "Returns the result of rot*this\&. "
.ti -1c
.RI "\fBShellRotation\fP \fBtransform\fP (const \fBShellRotation\fP &rot) const"
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.RI "Returns the result of rot*this*transpose(rot)\&. "
.ti -1c
.RI "double \fBtrace\fP () const"
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.RI "Return the trace of the transformation\&. "
.ti -1c
.RI "void \fBprint\fP () const"
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.RI "Print the object to \fBExEnv::out0()\fP\&. "
.in -1c
.SH "Detailed Description"
.PP 
\fBCompute\fP the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system\&. 

.SH "Author"
.PP 
Generated automatically by Doxygen for MPQC from the source code\&.