.TH "sc::OneBodyDerivInt" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::OneBodyDerivInt \- \fBOneBodyDerivInt\fP is an abstract base class for objects that compute one body derivative integrals\&.  

.SH SYNOPSIS
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.PP
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\fC#include <obint\&.h>\fP
.PP
Inherits \fBsc::RefCount\fP\&.
.PP
Inherited by \fBsc::OneBodyDerivIntCCA\fP, and \fBsc::OneBodyDerivIntV3\fP\&.
.SS "Public Member Functions"

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.RI "\fBOneBodyDerivInt\fP (\fBIntegral\fP *, const \fBRef\fP< \fBGaussianBasisSet\fP > &b)"
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.RI "\fBOneBodyDerivInt\fP (\fBIntegral\fP *, const \fBRef\fP< \fBGaussianBasisSet\fP > &b1, const \fBRef\fP< \fBGaussianBasisSet\fP > &b2)"
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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 the center one\&. "
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.RI "int \fBnbasis2\fP () const"
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.RI "Return the number of basis functions on the 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 "const double * \fBbuffer\fP () 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 ish, int jsh, \fBDerivCenters\fP &)=0"
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.RI "\fBCompute\fP the derivative integrals and place the result in the buffer returned by \fBbuffer()\fP\&. "
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.RI "virtual void \fBcompute_shell\fP (int ish, int jsh, int center)=0"
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.RI "\fBCompute\fP the derivative integrals with respect to the given center and place the result in the buffer returned by \fBbuffer()\fP\&. "
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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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.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
\fBOneBodyDerivInt\fP is an abstract base class for objects that compute one body derivative integrals\&. 
.SH "Member Function Documentation"
.PP 
.SS "const double* sc::OneBodyDerivInt::buffer () const"

.PP
The computed shell integrals will be put in the buffer returned by this member\&. 
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.SH "Author"
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Generated automatically by Doxygen for MPQC from the source code\&.