| /dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
| H A D | rak23.F | 375 subroutine rakdd_fill(at4xyz,nint,buf,bufsum,idatom) argument
379 integer idatom(4) local
451 subroutine rakdd_fill_a(buf,idatom,nint) argument
454 integer idatom(4) local
652 subroutine rakdd_printsum(nint,bufsum,idatom) argument
656 integer idatom(4) local
703 subroutine rakdd_print_dd(nint,buf,idatom) argument
707 integer idatom(4) local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
| H A D | rak23.F | 375 subroutine rakdd_fill(at4xyz,nint,buf,bufsum,idatom) argument
379 integer idatom(4) local
451 subroutine rakdd_fill_a(buf,idatom,nint) argument
454 integer idatom(4) local
652 subroutine rakdd_printsum(nint,bufsum,idatom) argument
656 integer idatom(4) local
703 subroutine rakdd_print_dd(nint,buf,idatom) argument
707 integer idatom(4) local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | intd_2e2c.F | 222 subroutine intd_sum2c(eri,nint,idatom,iatom,jatom) argument
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| H A D | intbd_2e4c.F | 148 integer idatom(4) local
258 subroutine intbd_nw_label_copy(eri_nworder,eri,nint_s,nint,idatom, argument
266 integer idatom(4) local
334 subroutine intbd_nw_label(nint,idatom, argument
340 integer idatom(4) local
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| H A D | intd_1eov.F | 18 & lOva,Ova,idatom) argument
34 integer idatom(*) !< [Output] array identifying centers for derivatives local
81 & nint,Ova,idatom) argument
117 integer idatom(*) ! [output] array identifying centers for derivatives local
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| H A D | intbdd_2e4c.F | 158 integer idatom(4) local
259 & idatom, argument
267 integer idatom(4) local
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| H A D | intd_2e4c.F | 407 subroutine intd_sum(eri,nint_ck,idatom,iatom,jatom,katom,latom) argument
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| H A D | intpd_2e2c.F | 64 integer idatom(4) local
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| /dports/science/packmol/packmol-18.169/ |
| H A D | tobar.f90 | 14 integer :: idatom, itype, iatom local
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| H A D | cenmass.f90 | 19 integer :: itype, iatom, idatom local
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| H A D | getinp.f90 | 17 integer :: i, k, ii, iarg, iline, idatom, iatom, in, lixo, irest, itype, itest,& local
889 integer :: natoms, idatom, iatom, ic, i local
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| H A D | packmol.f90 | 45 integer :: itype, irest, idatom, iatom variable
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| H A D | computef.f90 | 17 integer :: ilugan, ilubar, icart, itype, imol, iatom, idatom, & local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | intd_2e2c.F | 56 integer idatom(4) ! local array identifying centers for derivatives local
224 subroutine intd_sum2c(eri,nint,idatom,iatom,jatom) argument
229 integer idatom(4) local
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| H A D | intbd_2e4c.F | 148 integer idatom(4) local
258 subroutine intbd_nw_label_copy(eri_nworder,eri,nint_s,nint,idatom, argument
266 integer idatom(4) local
334 subroutine intbd_nw_label(nint,idatom, argument
340 integer idatom(4) local
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| H A D | intd_1eov.F | 18 & lOva,Ova,idatom) argument
34 integer idatom(*) !< [Output] array identifying centers for derivatives local
81 & nint,Ova,idatom) argument
117 integer idatom(*) ! [output] array identifying centers for derivatives local
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| H A D | intd_1eke.F | 13 & lTa,Ta,idatom) argument
32 integer idatom(*) !< [Output] array identifying centers for derivatives local
78 & nint,Ta,idatom) argument
112 integer idatom(*) ! [output] array identifying centers for derivatives local
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| H A D | intdd_2e2c.F | 18 & lscr, scr, leri, eri, idatom) argument
113 integer idatom(4) !< [Output] array identifying centers for derivatives local
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| H A D | intbdd_2e4c.F | 160 integer idatom(4) local
261 & idatom, argument
269 integer idatom(4) local
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| H A D | intdd_2e3c.F | 19 & lscr, scr, leri, eri, idatom) argument
115 integer idatom(4) !< [Output] array identifying centers for derivatives local
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| H A D | intd_2e4c.F | 18 & lscr, scr, leri, eri, idatom) argument
66 integer idatom(4) !< [Output] array identifying centers for derivatives local
409 subroutine intd_sum(eri,nint_ck,idatom,iatom,jatom,katom,latom) argument
414 integer idatom(4) local
432 I idatom,iatom,jatom,katom,latom) argument
437 integer idatom(4) local
511 & bra_sph,ket_sph,idatom,ltransp) argument
524 integer idatom(4) local
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| H A D | intdd_2e4c.F | 18 & lscr, scr, leri, eri, idatom) argument
115 integer idatom(4) !< [Output] array identifying centers for derivatives local
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| H A D | intd_1e3ov.F | 37 & lscr, scr, ldov3, dOV3, idatom) argument
68 integer idatom(3) !< [Output] array identifying centers for derivatives local
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| H A D | intd_2e3c.F | 19 & lscr, scr, leri, eri, idatom) argument
63 integer idatom(4) !< [Output] array identifying centers for derivatives local
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| H A D | intpd_mpolel.F | 19 & idatom) argument
129 integer idatom(3) !< [Output] array identifying centers for derivatives local
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