.TH "sc::TwoBodyTwoCenterInt" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::TwoBodyTwoCenterInt \- This is an abstract base type for classes that compute integrals involving two electrons in two Gaussian functions\&.  

.SH SYNOPSIS
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.PP
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\fC#include <tbint\&.h>\fP
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Inherits \fBsc::RefCount\fP\&.
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Inherited by \fBsc::TwoBodyTwoCenterIntV3\fP\&.
.SS "Public Types"

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.ti -1c
.RI "enum \fBtbint_type\fP { \fBeri\fP =0, \fBr12\fP =1, \fBr12t1\fP =2, \fBr12t2\fP =3 }"
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.RI "Types of two-body integrals that \fBTwoBodyInt\fP understands: eri stands for electron repulsion integral, r12 stands for integrals of r12 operator, r12t1 and r12t2 are integrals of [r12,T1] and [r12,T2] operators\&. "
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.SS "Public Member Functions"

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.RI "int \fBnbasis\fP () const"
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.RI "Return the number of basis functions on center one\&. "
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.RI "int \fBnbasis1\fP () const"
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.RI "Return the number of basis functions on center one\&. "
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.RI "int \fBnbasis2\fP () const"
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.RI "Return the number of basis functions on center two\&. "
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.RI "int \fBnshell\fP () const"
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.RI "Return the number of shells on center one\&. "
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.RI "int \fBnshell1\fP () const"
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.RI "Return the number of shells on center one\&. "
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.RI "int \fBnshell2\fP () const"
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.RI "Return the number of shells on center two\&. "
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis\fP ()"
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.RI "Return the basis set on center one\&. "
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis1\fP ()"
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.RI "Return the basis set on center one\&. "
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis2\fP ()"
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.RI "Return the basis set on center two\&. "
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.RI "virtual const double * \fBbuffer\fP (\fBtbint_type\fP type=eri) const"
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.RI "The computed shell integrals will be put in the buffer returned by this member\&. "
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.RI "virtual void \fBcompute_shell\fP (int, int)=0"
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.RI "Given four shell indices, integrals will be computed and placed in the buffer\&. "
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.RI "virtual int \fBlog2_shell_bound\fP (int=\-1, int=\-1)=0"
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.RI "Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell\&. "
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.RI "int \fBredundant\fP () const"
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.RI "If redundant is true, then keep redundant integrals in the buffer\&. "
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.RI "void \fBset_redundant\fP (int i)"
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.RI "See \fBredundant()\fP\&. "
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.RI "virtual void \fBset_integral_storage\fP (size_t storage)"
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.RI "This storage is used to cache computed integrals\&. "
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.RI "\fBIntegral\fP * \fBintegral\fP () const"
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.RI "Return the integral factory that was used to create this object\&. "
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.SS "Static Public Attributes"

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.RI "static const int \fBnum_tbint_types\fP = 4"
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.RI "The total number of such types\&. "
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.SS "Protected Member Functions"

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.RI "\fBTwoBodyTwoCenterInt\fP (\fBIntegral\fP *\fBintegral\fP, const \fBRef\fP< \fBGaussianBasisSet\fP > &bs1, const \fBRef\fP< \fBGaussianBasisSet\fP > &bs2)"
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.SS "Protected Attributes"

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.RI "\fBIntegral\fP * \fBintegral_\fP"
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbs1_\fP"
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbs2_\fP"
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.RI "double * \fBbuffer_\fP"
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.ti -1c
.RI "int \fBredundant_\fP"
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.in -1c
.SH "Detailed Description"
.PP 
This is an abstract base type for classes that compute integrals involving two electrons in two Gaussian functions\&. 
.SH "Member Function Documentation"
.PP 
.SS "virtual const double* sc::TwoBodyTwoCenterInt::buffer (\fBtbint_type\fP type = \fCeri\fP) const\fC [virtual]\fP"

.PP
The computed shell integrals will be put in the buffer returned by this member\&. Some \fBTwoBodyInt\fP specializations have more than one buffer: The type arguments selects which buffer is returned\&. If the requested type is not supported, then 0 is returned\&. 
.SS "virtual void sc::TwoBodyTwoCenterInt::compute_shell (int, int)\fC [pure virtual]\fP"

.PP
Given four shell indices, integrals will be computed and placed in the buffer\&. The first index corresponds to electron 1 and the second index corresponds to electron 2\&. 
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Implemented in \fBsc::TwoBodyTwoCenterIntV3\fP\&.
.SS "virtual int sc::TwoBodyTwoCenterInt::log2_shell_bound (int = \fC\-1\fP, int = \fC\-1\fP)\fC [pure virtual]\fP"

.PP
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell\&. An index of -1 for any argument indicates any shell\&. 
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.PP
Implemented in \fBsc::TwoBodyTwoCenterIntV3\fP\&.
.SS "int sc::TwoBodyTwoCenterInt::redundant () const\fC [inline]\fP"

.PP
If redundant is true, then keep redundant integrals in the buffer\&. The default is true\&. 

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