.TH "sc::SOBasis" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::SOBasis \- A \fBSOBasis\fP object describes the transformation from an atomic orbital basis to a symmetry orbital basis\&.  

.SH SYNOPSIS
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.PP
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\fC#include <sobasis\&.h>\fP
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Inherits \fBsc::RefCount\fP\&.
.SS "Public Member Functions"

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.RI "\fBSOBasis\fP (const \fBRef\fP< \fBGaussianBasisSet\fP > &, const \fBRef\fP< \fBIntegral\fP > &)"
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.RI "Create an \fBSOBasis\fP object given a \fBGaussianBasisSet\fP and \fBIntegral\fP objects\&. "
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.RI "int \fBnshell\fP () const"
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.RI "Return the number of shells\&. "
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.RI "int \fBnirrep\fP () const"
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.RI "Return the number of irreps\&. "
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.RI "int \fBncomponent\fP (int iirrep) const"
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.RI "int \fBnfunction_in_irrep\fP (int \fBirrep\fP) const"
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.RI "Return the number of functions in the given irrep\&. "
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.RI "int \fBfunction_offset_for_irrep\fP (int \fBirrep\fP) const"
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.RI "Return the offset for the first function of the given irrep\&. "
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.RI "int \fBnfunction\fP (int ishell) const"
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.RI "Return the number of functions in the given shell\&. "
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.RI "int \fBnaofunction\fP (int ishell) const"
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.RI "Return the number of functions in the AO shell that make up the given \fBSO\fP shell\&. "
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.RI "int \fBnfunction\fP (int ishell, int iirrep) const"
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.RI "Returns the number of functions in the shell in a given irrep\&. "
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.RI "int \fBmax_nfunction_in_shell\fP () const"
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.RI "Returns the maximum number of functions in a shell (summed over all irreps) "
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.RI "int \fBfunction_offset_within_shell\fP (int ishell, int iirrep) const"
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.RI "Normally, \fBSO\fP shell numbering starts at zero within each irrep\&. "
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.RI "int \fBfunction\fP (int ishell)"
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.RI "Convert the \fBSO\fP shell number to the overall number of the first function within that shell\&. "
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.RI "int \fBirrep\fP (int ishell, int ifunc) const"
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.RI "Convert \fBSO\fP shell and function number within shell to irrep\&. "
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.RI "int \fBfunction_within_irrep\fP (int ishell, int ifunc) const"
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.RI "Convert \fBSO\fP shell and function number to number within irrep\&. "
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.RI "const \fBSOTransform\fP & \fBtrans\fP (int i) const"
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.RI "Return the \fBSOTransform\fP object for the given shell\&. "
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.RI "void \fBprint\fP (std::ostream &o=\fBExEnv::out0\fP()) const"
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.SS "Protected Attributes"

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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis_\fP"
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.RI "int \fBnshell_\fP"
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.RI "int \fBnirrep_\fP"
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.RI "int * \fBncomp_\fP"
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.RI "int ** \fBnfunc_\fP"
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.RI "int * \fBnaofunc_\fP"
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.RI "int ** \fBfuncoff_\fP"
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.RI "int * \fBnfunc_in_irrep_\fP"
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.RI "int * \fBfunc_\fP"
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.RI "int * \fBirrep_\fP"
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.RI "int * \fBfunc_within_irrep_\fP"
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.RI "\fBSOTransform\fP * \fBtrans_\fP"
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.in -1c
.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
A \fBSOBasis\fP object describes the transformation from an atomic orbital basis to a symmetry orbital basis\&. 


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.SH "Member Function Documentation"
.PP 
.SS "int sc::SOBasis::function_offset_within_shell (int ishell, int iirrep) const\fC [inline]\fP"

.PP
Normally, \fBSO\fP shell numbering starts at zero within each irrep\&. This returns an offset to make \fBSO\fP shell numbers unique within the shell\&. 

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