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98 lines
3.0 KiB
Fortran
Executable File
98 lines
3.0 KiB
Fortran
Executable File
* Call list of (ab|ab) Hermite ERIs for Cauchy-Schwarz screening of
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* ERI derivatives
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if(iang.gt.4.or.jang.gt.4) then
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#include "dprscr_abab_template.f"
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$.false.,dprscr_dummy,dprscr_dummy)
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else
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di=iang+deri
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dj=jang+derj
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if(di.eq.0) then
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if(dj.eq.0) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_ss_ket,dprscr_ss_bra)
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elseif(dj.eq.1) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_sp_ket,dprscr_sp_bra)
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endif ! dj
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elseif(di.eq.1) then
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if(dj.eq.0) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_ps_ket,dprscr_ps_bra)
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elseif(dj.eq.1) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_pp_ket,dprscr_pp_bra)
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elseif(dj.eq.2) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_pd_ket,dprscr_pd_bra)
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endif ! dj
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elseif(di.eq.2) then
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if(dj.eq.0) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_ds_ket,dprscr_ds_bra)
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elseif(dj.eq.1) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_dp_ket,dprscr_dp_bra)
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elseif(dj.eq.2) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_dd_ket,dprscr_dd_bra)
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elseif(dj.eq.3) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_df_ket,dprscr_df_bra)
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endif ! dj
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elseif(di.eq.3) then
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if(dj.eq.0) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_fs_ket,dprscr_fs_bra)
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elseif(dj.eq.1) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_fp_ket,dprscr_fp_bra)
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elseif(dj.eq.2) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_fd_ket,dprscr_fd_bra)
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elseif(dj.eq.3) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_ff_ket,dprscr_ff_bra)
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elseif(dj.eq.4) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_fg_ket,dprscr_fg_bra)
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endif ! dj
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elseif(di.eq.4) then
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if(dj.eq.0) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_gs_ket,dprscr_gs_bra)
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elseif(dj.eq.1) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_gp_ket,dprscr_gp_bra)
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elseif(dj.eq.2) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_gd_ket,dprscr_gd_bra)
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elseif(dj.eq.3) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_gf_ket,dprscr_gf_bra)
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elseif(dj.eq.4) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_gg_ket,dprscr_gg_bra)
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elseif(dj.eq.5) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_gh_ket,dprscr_gh_bra)
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endif ! dj
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elseif(di.eq.5) then
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if(dj.eq.0) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_hs_ket,dprscr_hs_bra)
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elseif(dj.eq.1) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_hp_ket,dprscr_hp_bra)
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elseif(dj.eq.2) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_hd_ket,dprscr_hd_bra)
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elseif(dj.eq.3) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_hf_ket,dprscr_hf_bra)
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elseif(dj.eq.4) then
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#include "dprscr_abab_template.f"
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$.true.,dprscr_hg_ket,dprscr_hg_bra)
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endif ! dj
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endif ! di
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endif ! generated?
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