.TH "sc::Int1eCints" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::Int1eCints \- \fBInt1eCints\fP is used by \fBOneBodyIntCints\fP and OneBodyDerivIntCints to implement \fBIntegralCints\fP\&.  

.SH SYNOPSIS
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.PP
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\fC#include <int1e\&.h>\fP
.PP
Inherits \fBsc::RefCount\fP\&.
.SS "Public Member Functions"

.in +1c
.ti -1c
.RI "\fBInt1eCints\fP (\fBIntegral\fP *, const \fBRef\fP< \fBGaussianBasisSet\fP > &, const \fBRef\fP< \fBGaussianBasisSet\fP > &, int order, bool need_overlap, bool need_coulomb, int ntypes)"
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.ti -1c
.RI "void \fBset_multipole_origin\fP (const \fBRef\fP< \fBDipoleData\fP > &)"
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.RI "void \fBset_EdotV_origin\fP (const \fBRef\fP< \fBEfieldDotVectorData\fP > &)"
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.ti -1c
.RI "void \fBset_Q_origin\fP (const \fBRef\fP< \fBPointChargeData\fP > &)"
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.RI "\fBRef\fP< \fBDipoleData\fP > \fBmultipole_origin\fP ()"
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.RI "\fBRef\fP< \fBEfieldDotVectorData\fP > \fBEdotV_origin\fP ()"
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.RI "\fBRef\fP< \fBPointChargeData\fP > \fBQ_origin\fP ()"
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.ti -1c
.RI "double * \fBbuffer\fP ()"
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis\fP ()"
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis1\fP ()"
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.RI "\fBRef\fP< \fBGaussianBasisSet\fP > \fBbasis2\fP ()"
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.RI "void \fBkinetic\fP (int ish, int jsh)"
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.RI "void \fBnuclear\fP (int ish, int jsh)"
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.RI "void \fBoverlap\fP (int ish, int jsh)"
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.RI "void \fBhcore\fP (int ish, int jsh)"
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.ti -1c
.RI "void \fBedipole\fP (int ish, int jsh)"
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.ti -1c
.RI "void \fBequadrupole\fP (int ish, int jsh)"
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.in -1c
.SS "Protected Member Functions"

.in +1c
.ti -1c
.RI "void \fBAI_OSrecurs_\fP (double ***AI0, double PA[3], double PB[3], double PC[3], double gamma, int iang, int jang)"
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.RI "void \fBOI_OSrecurs_\fP (double **OIX, double **OIY, double **OIZ, double PA[3], double PB[3], double gamma, int lmaxi, int lmaxj)"
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.RI "void \fBcompute_doublet_info_\fP (int, int)"
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.RI "void \fBzero_buffers_\fP ()"
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.RI "void \fBtransform_contrquartets_\fP (double *, double *)"
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.RI "void \fBsort_contrdoublets_to_shelldoublet_\fP (double *, double *)"
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.ti -1c
.RI "void \fBzero_buffers_vec_\fP (const int)"
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.ti -1c
.RI "void \fBtransform_contrquartets_vec_\fP (const int, double *, double *)"
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.RI "void \fBsort_contrdoublets_to_shelldoublet_vec_\fP (const int, double *, double *)"
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.ti -1c
.RI "void \fBoverlap_full_general_\fP ()"
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.ti -1c
.RI "void \fBoverlap_sameam_general_\fP ()"
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.ti -1c
.RI "void \fBkinetic_full_general_\fP ()"
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.ti -1c
.RI "void \fBkinetic_sameam_general_\fP ()"
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.ti -1c
.RI "void \fBnuclear_full_general_\fP ()"
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.ti -1c
.RI "void \fBnuclear_sameam_general_\fP ()"
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.RI "void \fBhcore_full_general_\fP ()"
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.ti -1c
.RI "void \fBhcore_sameam_general_\fP ()"
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.ti -1c
.RI "void \fBedipole_full_general_\fP ()"
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.ti -1c
.RI "void \fBequadrupole_full_general_\fP ()"
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.RI "double ** \fBinit_block_\fP (int, int)"
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.ti -1c
.RI "void \fBfree_block_\fP (double **)"
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.RI "double *** \fBinit_box_\fP (int, int, int)"
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.ti -1c
.RI "void \fBfree_box_\fP (double ***)"
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.in -1c
.SS "Protected Attributes"

.in +1c
.ti -1c
.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 "\fBRef\fP< \fBDipoleData\fP > \fBmultipole_origin_\fP"
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.RI "\fBRef\fP< \fBEfieldDotVectorData\fP > \fBEdotV_origin_\fP"
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.RI "\fBRef\fP< \fBPointChargeData\fP > \fBQ_origin_\fP"
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.RI "bool \fBneed_overlap_\fP"
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.RI "bool \fBneed_coulomb_\fP"
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.ti -1c
.RI "int \fBntypes_\fP"
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.RI "double * \fBtarget_ints_buffer_\fP"
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.RI "int \fBmax_doublet_size_\fP"
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.RI "double * \fBcart_ints_\fP"
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.RI "double * \fBsphharm_ints_\fP"
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.ti -1c
.RI "double * \fBtformbuf_\fP"
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.ti -1c
.RI "int \fBmax_cart_doublet_size_\fP"
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.RI "double * \fBprim_ints_\fP"
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.RI "double * \fBcontr_doublets_\fP"
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.RI "double * \fBshell_doublet_\fP"
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.RI "\fBGaussianShell\fP * \fBint_shell1_\fP"
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.RI "\fBGaussianShell\fP * \fBint_shell2_\fP"
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.ti -1c
.RI "struct {"
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.RI "   double \fBA\fP [3]"
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.RI "   double \fBB\fP [3]"
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.RI "   double \fBAB2\fP"
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.RI "   int \fBgc1\fP"
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.RI "   int \fBgc2\fP"
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.RI "   int \fBp1\fP"
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.RI "   int \fBp2\fP"
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.ti -1c
.RI "   int \fBam\fP"
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.RI "} \fBdoublet_info_\fP"
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.ti -1c
.RI "double ** \fBOIX_\fP"
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.RI "double ** \fBOIY_\fP"
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.RI "double ** \fBOIZ_\fP"
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.RI "double *** \fBAI0_\fP"
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.ti -1c
.RI "int \fBindmax_\fP"
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.RI "\fBRef\fP< \fBFJT\fP > \fBFm_Eval_\fP"
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.in -1c
.SH "Detailed Description"
.PP 
\fBInt1eCints\fP is used by \fBOneBodyIntCints\fP and OneBodyDerivIntCints to implement \fBIntegralCints\fP\&. 

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