NAME

       sc::Int1eCints - Int1eCints is used by OneBodyIntCints and OneBodyDerivIntCints to
       implement IntegralCints.

SYNOPSIS

       #include <int1e.h>

       Inherits sc::RefCount.

   Public Member Functions
       Int1eCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &,
           int order, bool need_overlap, bool need_coulomb, int ntypes)
       void set_multipole_origin (const Ref< DipoleData > &)
       void set_EdotV_origin (const Ref< EfieldDotVectorData > &)
       void set_Q_origin (const Ref< PointChargeData > &)
       Ref< DipoleData > multipole_origin ()
       Ref< EfieldDotVectorData > EdotV_origin ()
       Ref< PointChargeData > Q_origin ()
       double * buffer ()
       Ref< GaussianBasisSet > basis ()
       Ref< GaussianBasisSet > basis1 ()
       Ref< GaussianBasisSet > basis2 ()
       void kinetic (int ish, int jsh)
       void nuclear (int ish, int jsh)
       void overlap (int ish, int jsh)
       void hcore (int ish, int jsh)
       void edipole (int ish, int jsh)
       void equadrupole (int ish, int jsh)

   Protected Member Functions
       void AI_OSrecurs_ (double ***AI0, double PA[3], double PB[3], double PC[3], double gamma,
           int iang, int jang)
       void OI_OSrecurs_ (double **OIX, double **OIY, double **OIZ, double PA[3], double PB[3],
           double gamma, int lmaxi, int lmaxj)
       void compute_doublet_info_ (int, int)
       void zero_buffers_ ()
       void transform_contrquartets_ (double *, double *)
       void sort_contrdoublets_to_shelldoublet_ (double *, double *)
       void zero_buffers_vec_ (const int)
       void transform_contrquartets_vec_ (const int, double *, double *)
       void sort_contrdoublets_to_shelldoublet_vec_ (const int, double *, double *)
       void overlap_full_general_ ()
       void overlap_sameam_general_ ()
       void kinetic_full_general_ ()
       void kinetic_sameam_general_ ()
       void nuclear_full_general_ ()
       void nuclear_sameam_general_ ()
       void hcore_full_general_ ()
       void hcore_sameam_general_ ()
       void edipole_full_general_ ()
       void equadrupole_full_general_ ()
       double ** init_block_ (int, int)
       void free_block_ (double **)
       double *** init_box_ (int, int, int)
       void free_box_ (double ***)

   Protected Attributes
       Integral * integral_
       Ref< GaussianBasisSet > bs1_
       Ref< GaussianBasisSet > bs2_
       Ref< DipoleData > multipole_origin_
       Ref< EfieldDotVectorData > EdotV_origin_
       Ref< PointChargeData > Q_origin_
       bool need_overlap_
       bool need_coulomb_
       int ntypes_
       double * target_ints_buffer_
       int max_doublet_size_
       double * cart_ints_
       double * sphharm_ints_
       double * tformbuf_
       int max_cart_doublet_size_
       double * prim_ints_
       double * contr_doublets_
       double * shell_doublet_
       GaussianShell * int_shell1_
       GaussianShell * int_shell2_
       struct {
          double A [3]
          double B [3]
          double AB2
          int gc1
          int gc2
          int p1
          int p2
          int am
       } doublet_info_
       double ** OIX_
       double ** OIY_
       double ** OIZ_
       double *** AI0_
       int indmax_
       Ref< FJT > Fm_Eval_

Detailed Description

       Int1eCints is used by OneBodyIntCints and OneBodyDerivIntCints to implement IntegralCints.

Author

       Generated automatically by Doxygen for MPQC from the source code.