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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/etrans/
H A Det_2e.F39 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/etrans/
H A Det_2e.F39 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/
H A Dfock_2e_cdf.F2 $ 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
H A Dfock_scale.F1 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
H A Dfock_2e_slab.F2 $ 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
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/
H A Dfock_2e_cdf.F2 $ 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
H A Dfock_scale.F1 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
H A Dfock_2e_slab.F2 $ 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
/dports/science/madness/madness-ebb3fd7/src/madness/tensor/
H A Ddistributed_matrix.h117 , 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/
H A Dzora_getv_so.F59 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/
H A Dzora_getv_so.F59 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/
H A Dutil_strips.F1 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,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/
H A Dutil_strips.F1 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,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/
H A Dintbd_2e4c.F151 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/
H A Dintbd_2e4c.F151 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/moints/
H A Dmoints_2x.F578 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 …]
H A Dmoints_aodisk.F91 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/moints/
H A Dmoints_2x.F578 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 …]
H A Dmoints_aodisk.F91 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/so_dft/
H A Dsym_mo_ap_op_so.F22 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))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/symmetry/
H A Dsym_mo_ap_op.F22 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))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/so_dft/
H A Dsym_mo_ap_op_so.F22 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))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/symmetry/
H A Dsym_mo_ap_op.F22 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))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft/
H A Dtddft_restart.F50 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft/
H A Dtddft_restart.F50 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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