/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/etrans/ |
H A D | et_2e.F | 39 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 54 call ga_distribution(g_pa,ga_nodeid(),ilo,ihi,jlo,jhi) 56 numj=jhi-jlo+1 63 call ga_get(g_pa, ilo, ihi, jlo, jhi, dbl_mb(k_den),1) 74 call ga_distribution(g_pb,ga_nodeid(),ilo,ihi,jlo,jhi) 76 numj=jhi-jlo+1 80 call ga_get(g_pb, ilo, ihi, jlo, jhi, dbl_mb(k_den),1) 202 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 222 call ga_get(g_pa,ilo,ihi,jlo,jhi,dbl_mb(kpa_ij),blen) 248 $ ilo,ihi,jlo,jhi,klo,khi,llo,lhi, [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/etrans/ |
H A D | et_2e.F | 39 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 54 call ga_distribution(g_pa,ga_nodeid(),ilo,ihi,jlo,jhi) 56 numj=jhi-jlo+1 63 call ga_get(g_pa, ilo, ihi, jlo, jhi, dbl_mb(k_den),1) 74 call ga_distribution(g_pb,ga_nodeid(),ilo,ihi,jlo,jhi) 76 numj=jhi-jlo+1 80 call ga_get(g_pb, ilo, ihi, jlo, jhi, dbl_mb(k_den),1) 202 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 222 call ga_get(g_pa,ilo,ihi,jlo,jhi,dbl_mb(kpa_ij),blen) 248 $ ilo,ihi,jlo,jhi,klo,khi,llo,lhi, [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
H A D | fock_2e_cdf.F | 2 $ ilo, jlo, klo, llo, 28 integer ilo, jlo, klo, llo 50 jdim = jhi - jlo + 1 56 if (ijk_prev(1,1).ne.ilo .or. ijk_prev(2,1).ne.jlo) then 63 $ ilo, ihi, jlo, jhi, dij, tmp) 75 if (ijk_prev(2,1).ne.jlo .or. ijk_prev(3,1).ne.klo) then 81 $ jlo, jhi, klo, khi, djk, tmp) 92 $ llo, lhi, jlo, jhi, dlj, tmp) 98 ijk_prev(2,1) = jlo
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H A D | fock_scale.F | 1 subroutine fock_eri_scale( ilo, ihi, jlo, jhi, argument 7 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 8 double precision eri(llo:lhi,klo:khi,jlo:jhi,ilo:ihi) 22 oij = (ilo.eq.jlo) 24 oikjl = (ilo.eq.klo).and.(jlo.eq.llo) 49 do j = jlo,jtop 62 do j = jlo,jtop
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H A D | fock_2e_slab.F | 2 $ ilo, ihi, jlo, jhi, klo, khi, llo, lhi, 15 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 17 double precision scr(llo:lhi,klo:khi,jlo:jhi,ilo:ihi) 28 oij = ilo.eq.jlo 30 oikjl = (ilo.eq.klo).and.(jlo.eq.llo) 34 neri = (ihi-ilo+1)*(jhi-jlo+1)*(khi-klo+1)*(lhi-llo+1) 43 do j = jlo, jtop
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
H A D | fock_2e_cdf.F | 2 $ ilo, jlo, klo, llo, 28 integer ilo, jlo, klo, llo 50 jdim = jhi - jlo + 1 56 if (ijk_prev(1,1).ne.ilo .or. ijk_prev(2,1).ne.jlo) then 63 $ ilo, ihi, jlo, jhi, dij, tmp) 75 if (ijk_prev(2,1).ne.jlo .or. ijk_prev(3,1).ne.klo) then 81 $ jlo, jhi, klo, khi, djk, tmp) 92 $ llo, lhi, jlo, jhi, dlj, tmp) 98 ijk_prev(2,1) = jlo
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H A D | fock_scale.F | 1 subroutine fock_eri_scale( ilo, ihi, jlo, jhi, argument 7 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 8 double precision eri(llo:lhi,klo:khi,jlo:jhi,ilo:ihi) 22 oij = (ilo.eq.jlo) 24 oikjl = (ilo.eq.klo).and.(jlo.eq.llo) 49 do j = jlo,jtop 62 do j = jlo,jtop
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H A D | fock_2e_slab.F | 2 $ ilo, ihi, jlo, jhi, klo, khi, llo, lhi, 15 integer ilo, ihi, jlo, jhi, klo, khi, llo, lhi 17 double precision scr(llo:lhi,klo:khi,jlo:jhi,ilo:ihi) 28 oij = ilo.eq.jlo 30 oikjl = (ilo.eq.klo).and.(jlo.eq.llo) 34 neri = (ihi-ilo+1)*(jhi-jlo+1)*(khi-klo+1)*(lhi-llo+1) 43 do j = jlo, jtop
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/dports/science/madness/madness-ebb3fd7/src/madness/tensor/ |
H A D | distributed_matrix.h | 117 , jlo(Prow*tilem) in DistributedMatrixDistribution() 122 if (ilo > ihi || jlo > jhi) { in DistributedMatrixDistribution() 123 ilo = jlo = 0; in DistributedMatrixDistribution() 146 , jlo(0) in DistributedMatrixDistribution() 174 jlo == d.jlo && 259 jlow = jlo; in local_rowrange() 277 return jlo; in local_jlow() 547 … t(Slice(i0-ilo,i1-ilo),Slice(j0-jlo,j1-jlo)) = s(Slice(i0-ilow,i1-ilow),Slice(j0-jlow,j1-jlow)); in copy_from_replicated_patch() 588 U.data()(___) = t(Slice(i0-ilo,i1-ilo),Slice(j0-jlo,j1-jlo)); in extract_columns() 630 t(i-ilo,j-jlo) = x; in set() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/ |
H A D | zora_getv_so.F | 59 integer ilo,ihi,jlo,jhi 293 . ga_nodeid(), ilo, ihi, jlo, jhi) 295 do j=jlo,jhi 296 call ga_put(g_zora_sf(1),ilo, ihi, jlo, jhi, 303 . ga_nodeid(), ilo, ihi, jlo, jhi) 305 do j=jlo,jhi 322 . ga_nodeid(), ilo, ihi, jlo, jhi) 324 do j=jlo,jhi 325 call ga_put(g_zora_so(i),ilo, ihi, jlo, jhi, 333 . ga_nodeid(), ilo, ihi, jlo, jhi) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/ |
H A D | zora_getv_so.F | 59 integer ilo,ihi,jlo,jhi 293 . ga_nodeid(), ilo, ihi, jlo, jhi) 295 do j=jlo,jhi 296 call ga_put(g_zora_sf(1),ilo, ihi, jlo, jhi, 303 . ga_nodeid(), ilo, ihi, jlo, jhi) 305 do j=jlo,jhi 322 . ga_nodeid(), ilo, ihi, jlo, jhi) 324 do j=jlo,jhi 325 call ga_put(g_zora_so(i),ilo, ihi, jlo, jhi, 333 . ga_nodeid(), ilo, ihi, jlo, jhi) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
H A D | util_strips.F | 1 subroutine util_gacc_strips(g_a,ilo,ihi,jlo,jhi, argument 6 integer ilo,ihi,jlo,jhi,ld ![in] 21 npass=(ld*(jhi-jlo+1))/min(ACC_LENGTH_MAX,lgth_in)+1 23 npass=(ld*(jhi-jlo+1))/ACC_LENGTH+1 34 call ga_acc(g_a,acc_ilo,acc_ihi,jlo,jhi, 41 call ga_acc(g_a,acc_ihi+1,ihi,jlo,jhi,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
H A D | util_strips.F | 1 subroutine util_gacc_strips(g_a,ilo,ihi,jlo,jhi, argument 6 integer ilo,ihi,jlo,jhi,ld ![in] 21 npass=(ld*(jhi-jlo+1))/min(ACC_LENGTH_MAX,lgth_in)+1 23 npass=(ld*(jhi-jlo+1))/ACC_LENGTH+1 34 call ga_acc(g_a,acc_ilo,acc_ihi,jlo,jhi, 41 call ga_acc(g_a,acc_ihi+1,ihi,jlo,jhi,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
H A D | intbd_2e4c.F | 151 integer ilo, jlo, klo, llo local 177 if (.not.bas_cn2bfr(brain,jcl(i_q),jlo,jhi)) 239 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, 243 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, 259 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, argument 267 integer ilo, jlo, klo, llo local 294 & eri_nworder(llo,klo,jlo,ilo,1,i),1) 298 do jj = jlo,jhi 335 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, argument 341 integer ilo, jlo, klo, llo local [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
H A D | intbd_2e4c.F | 151 integer ilo, jlo, klo, llo local 177 if (.not.bas_cn2bfr(brain,jcl(i_q),jlo,jhi)) 239 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, 243 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, 259 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, argument 267 integer ilo, jlo, klo, llo local 294 & eri_nworder(llo,klo,jlo,ilo,1,i),1) 298 do jj = jlo,jhi 335 & ilo,ihi,jlo,jhi,klo,khi,llo,lhi, argument 341 integer ilo, jlo, klo, llo local [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/moints/ |
H A D | moints_2x.F | 578 do j=jlo,jhi 596 do j=jlo,jhi 654 jvlo = (jlo-1)*nvir + 1 663 do j=jlo,jhi 682 do j=jlo,jhi 817 jlen = jhi - jlo + 1 828 do j=jlo,jhi 858 do j=jlo,jhi 923 jvlo = (jlo-1)*nvir + 1 936 do j=jlo,jhi [all …]
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H A D | moints_aodisk.F | 91 integer jlo, jhi 167 integer jlo, jhi 532 integer ilo, ihi, jlo, jhi 555 do j=jlo,jhi 601 integer ilo, ihi, jlo, jhi 889 blkinfo(9) = jlo 907 jlen = jhi - jlo + 1 943 do j=jlo,jhi 1109 jlen = jhi - jlo + 1 1255 jlen = jhi - jlo + 1 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/moints/ |
H A D | moints_2x.F | 578 do j=jlo,jhi 596 do j=jlo,jhi 654 jvlo = (jlo-1)*nvir + 1 663 do j=jlo,jhi 682 do j=jlo,jhi 817 jlen = jhi - jlo + 1 828 do j=jlo,jhi 858 do j=jlo,jhi 923 jvlo = (jlo-1)*nvir + 1 936 do j=jlo,jhi [all …]
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H A D | moints_aodisk.F | 91 integer jlo, jhi 167 integer jlo, jhi 535 integer ilo, ihi, jlo, jhi 558 do j=jlo,jhi 604 integer ilo, ihi, jlo, jhi 892 blkinfo(9) = jlo 910 jlen = jhi - jlo + 1 946 do j=jlo,jhi 1112 jlen = jhi - jlo + 1 1258 jlen = jhi - jlo + 1 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/so_dft/ |
H A D | sym_mo_ap_op_so.F | 22 integer ncent, icent, jcent, ish, jsh, ilo, ihi, jlo, jhi 74 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 81 t(jlo) = t(jlo) + v(ilo) 83 $ 1, v(ilo+1), 3, 1, t(jlo+1)) 86 t(jlo+i) = t(jlo+i) + v(ilo+i) ! S functions are easy 91 $ type, v(ilo), nbf_per_sh, ngen, t(jlo))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/symmetry/ |
H A D | sym_mo_ap_op.F | 22 integer ncent, icent, jcent, ish, jsh, ilo, ihi, jlo, jhi 73 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 80 t(jlo) = t(jlo) + v(ilo) 82 $ 1, v(ilo+1), 3, 1, t(jlo+1)) 85 t(jlo+i) = t(jlo+i) + v(ilo+i) ! S functions are easy 90 $ type, v(ilo), nbf_per_sh, ngen, t(jlo))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/so_dft/ |
H A D | sym_mo_ap_op_so.F | 22 integer ncent, icent, jcent, ish, jsh, ilo, ihi, jlo, jhi 74 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 81 t(jlo) = t(jlo) + v(ilo) 83 $ 1, v(ilo+1), 3, 1, t(jlo+1)) 86 t(jlo+i) = t(jlo+i) + v(ilo+i) ! S functions are easy 91 $ type, v(ilo), nbf_per_sh, ngen, t(jlo))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/symmetry/ |
H A D | sym_mo_ap_op.F | 22 integer ncent, icent, jcent, ish, jsh, ilo, ihi, jlo, jhi 73 if (.not. bas_cn2bfr(basis, jsh, jlo, jhi)) 80 t(jlo) = t(jlo) + v(ilo) 82 $ 1, v(ilo+1), 3, 1, t(jlo+1)) 85 t(jlo+i) = t(jlo+i) + v(ilo+i) ! S functions are easy 90 $ type, v(ilo), nbf_per_sh, ngen, t(jlo))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft/ |
H A D | tddft_restart.F | 50 integer ilo,ihi,jlo,jhi 221 C ilo,ihi,jlo,jhi) 235 C ilo, ihi, jlo, jhi) 269 C ilo, ihi, jlo, jhi, ld) 273 integer ilo, ihi, jlo, jhi 274 double precision a(ilo:ihi,jlo:jhi) 284 C ilo, ihi, jlo, jhi, ld) 290 integer ilo, ihi, jlo, jhi 303 C ilo, ihi, jlo, jhi) 309 integer ilo, ihi, jlo, jhi [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft/ |
H A D | tddft_restart.F | 50 integer ilo,ihi,jlo,jhi 221 C ilo,ihi,jlo,jhi) 235 C ilo, ihi, jlo, jhi) 269 C ilo, ihi, jlo, jhi, ld) 273 integer ilo, ihi, jlo, jhi 274 double precision a(ilo:ihi,jlo:jhi) 284 C ilo, ihi, jlo, jhi, ld) 290 integer ilo, ihi, jlo, jhi 303 C ilo, ihi, jlo, jhi) 309 integer ilo, ihi, jlo, jhi [all …]
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