/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/tools/ |
H A D | ODCPRG.f | 200 ifirst=14 248 cmagav=(cmag(ifirst,1)+cmag(ifirst,5)+cmag(ifirst,9))/3.d0 250 dchi=cmag(ifirst,9)-cmag(ifirst,1) 326 sigave=(cshi(ifirst,1,iatom)+cshi(ifirst,5,iatom)+ 384 ifirst=14 446 cmagav=(cmag(ifirst,1)+cmag(ifirst,5)+cmag(ifirst,9))/3.d0 524 sigave=(cshi(ifirst,1,iatom)+cshi(ifirst,5,iatom)+ 680 cmagav=(cmag(ifirst,1)+cmag(ifirst,5)+cmag(ifirst,9))/3.d0 681 dcxxyy=cmag(ifirst,1)-cmag(ifirst,5) 682 dcyyxx=cmag(ifirst,5)-cmag(ifirst,9) [all …]
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/dports/cad/opencascade/opencascade-7.6.0/src/LocOpe/ |
H A D | LocOpe_CurveShapeIntersector.cxx | 100 for (ifirst=1; ifirst<=nbpoints; ifirst++) { in LocalizeAfter() 107 i = ifirst; in LocalizeAfter() 157 for (ifirst=nbpoints; ifirst>=1; ifirst--) { in LocalizeBefore() 164 i = ifirst; in LocalizeBefore() 165 IndTo = ifirst; in LocalizeBefore() 221 for (ifirst=FromInd+1; ifirst<=nbpoints; ifirst++) { in LocalizeAfter() 228 ifirst = 1; in LocalizeAfter() 233 i = ifirst; in LocalizeAfter() 290 for (ifirst=FromInd-1; ifirst>=1; ifirst--) { in LocalizeBefore() 302 i = ifirst; in LocalizeBefore() [all …]
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H A D | LocOpe_CSIntersector.cxx | 352 for (ifirst=1; ifirst<=nbpoints; ifirst++) { in LocAfter() 359 i = ifirst; in LocAfter() 360 IndFrom = ifirst; in LocAfter() 406 for (ifirst=nbpoints; ifirst>=1; ifirst--) { in LocBefore() 412 if (ifirst >= 1) { in LocBefore() 413 i = ifirst; in LocBefore() 414 IndTo = ifirst; in LocBefore() 467 for (ifirst=FromInd+1; ifirst<=nbpoints; ifirst++) { in LocAfter() 474 ifirst = 1; in LocAfter() 479 i = ifirst; in LocAfter() [all …]
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/dports/science/helfem/HelFEM-21461e9/src/sadatom/ |
H A D | basis.cpp | 80 Orad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(Rexp,iel); in radial_integral() 101 Trad.submat(ifirst,ifirst,ilast,ilast)+=radial.kinetic(iel); in kinetic() 118 Trad_l.submat(ifirst,ifirst,ilast,ilast)+=radial.kinetic_l(iel); in kinetic_l() 155 Vrad.submat(ifirst,ifirst,ilast,ilast)+=radial.model_potential(pot,iel); in model_potential() 305 J.submat(ifirst,ifirst,ilast,ilast)+=jbig*iint; in coulomb() 314 J.submat(ifirst,ifirst,ilast,ilast)+=jsmall*iint; in coulomb() 331 J.submat(ifirst,ifirst,ilast,ilast)+=Jsub; in coulomb() 765 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in coulomb_screening() 867 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in electron_density() 891 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in electron_density_gradient() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
H A D | riscf_square.F | 25 integer ish, jsh, next, i, j, ind, last, ifirst, ilast, jfirst, local 49 status = bas_cn2bfr(ao_basis, ish, ifirst, ilast) 55 ni = ilast - ifirst + 1 86 do i = ifirst, ilast 88 sthree(j,i-ifirst+1) = three(ind) 96 do i = ifirst, ilast 97 do j = ifirst, i - 1 98 sthree(i,j-ifirst+1) = three(ind) 99 sthree(j,i-ifirst+1) = three(ind) 102 sthree(i,i-ifirst+1) = three(ind) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
H A D | riscf_square.F | 25 integer ish, jsh, next, i, j, ind, last, ifirst, ilast, jfirst, 49 status = bas_cn2bfr(ao_basis, ish, ifirst, ilast) 55 ni = ilast - ifirst + 1 86 do i = ifirst, ilast 88 sthree(j,i-ifirst+1) = three(ind) 96 do i = ifirst, ilast 97 do j = ifirst, i - 1 98 sthree(i,j-ifirst+1) = three(ind) 99 sthree(j,i-ifirst+1) = three(ind) 102 sthree(i,i-ifirst+1) = three(ind) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
H A D | scat_mat.F | 1 Subroutine scat_mat(TT,T,Ni,Nj,mi,mj,ifirst,jfirst,ibf,jbf) argument 9 integer ifirst,jfirst 21 TT((ibf(i)-ifirst+1),jj)=T(i,j) 29 I ifirst,jfirst,ibf,jbf) 33 integer ifirst,jfirst 43 if(ifirst.eq.jfirst) then 48 TT((ibf(i)-ifirst+1), 56 TT((ibf(i)-ifirst+1),jj)=T(i,j)*2d0 95 . TT,T,Ni,Nj,mi,mj,ifirst,jfirst,ibf,jbf) 99 integer ifirst,jfirst [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
H A D | scat_mat.F | 1 Subroutine scat_mat(TT,T,Ni,Nj,mi,mj,ifirst,jfirst,ibf,jbf) argument 9 integer ifirst,jfirst 21 TT((ibf(i)-ifirst+1),jj)=T(i,j) 29 I ifirst,jfirst,ibf,jbf) 33 integer ifirst,jfirst 43 if(ifirst.eq.jfirst) then 48 TT((ibf(i)-ifirst+1), 56 TT((ibf(i)-ifirst+1),jj)=T(i,j)*2d0 95 . TT,T,Ni,Nj,mi,mj,ifirst,jfirst,ibf,jbf) 99 integer ifirst,jfirst [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | manybody_potential.F | 206 ifirst = 1 213 ifirst = mpair 219 IF (ifirst /= 0) nloc_size = ilast - ifirst + 1 288 ifirst = 1 295 ifirst = mpair 301 IF (ifirst /= 0) nloc_size = ilast - ifirst + 1 530 ifirst = 1 537 ifirst = mpair 543 IF (ifirst /= 0) nloc_size = ilast - ifirst + 1 607 ifirst = 1 [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | manybody_potential.F | 206 ifirst = 1 213 ifirst = mpair 219 IF (ifirst /= 0) nloc_size = ilast - ifirst + 1 288 ifirst = 1 295 ifirst = mpair 301 IF (ifirst /= 0) nloc_size = ilast - ifirst + 1 530 ifirst = 1 537 ifirst = mpair 543 IF (ifirst /= 0) nloc_size = ilast - ifirst + 1 607 ifirst = 1 [all …]
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/dports/devel/ga/ga-5.8/global/examples/md_cluster/ |
H A D | sort.F | 7 integer snode,rnode,pnum,idx,idy,idz,ipx,ipy,ipz,ilast,ifirst 22 ifirst = nint(dble(ga_nodeid()*atot)/dble(pnum)) 23 ifirst = ifirst + 1 48 call icull(ifirst,ilast) 55 call icull(ifirst,ilast) 68 subroutine icull(ifirst,ilast) 71 integer ifirst,ilast,i,icnt 79 if (bidx(i).ge.ifirst.and.bidx(i).le.ilast) then
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/dports/science/helfem/HelFEM-21461e9/src/harmonic/ |
H A D | main.cpp | 36 ifirst=iel*(bf.n_cols-noverlap); in get_functions() 38 ilast=ifirst+bf.n_cols-1; in get_functions() 86 size_t ifirst, ilast; in overlap() local 87 get_functions(iel,bf,noverlap,ifirst,ilast); in overlap() 88 S.submat(ifirst,ifirst,ilast,ilast)+=Sel; in overlap() 108 size_t ifirst, ilast; in potential() local 109 get_functions(iel,bf,noverlap,ifirst,ilast); in potential() 110 V.submat(ifirst,ifirst,ilast,ilast)+=Vel; in potential() 128 size_t ifirst, ilast; in kinetic() local 129 get_functions(iel,bf,noverlap,ifirst,ilast); in kinetic() [all …]
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/dports/science/helfem/HelFEM-21461e9/src/atomic/ |
H A D | TwoDBasis.cpp | 293 Orad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(Rexp,iel); in radial_integral() 339 Trad.submat(ifirst,ifirst,ilast,ilast)+=radial.kinetic(iel); in kinetic() 340 Trad_l.submat(ifirst,ifirst,ilast,ilast)+=radial.kinetic_l(iel); in kinetic() 449 size_t ifirst, ilast; in model_potential() local 451 Vrad.submat(ifirst,ifirst,ilast,ilast)+=radial.model_potential(pot,iel); in model_potential() 475 Orad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(1,iel); in dipole_z() 515 Orad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(2,iel); in quadrupole_zz() 556 O0rad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(0,iel); in Bz_field() 849 Jaux[L][M+Mmax].submat(ifirst,ifirst,ilast,ilast)+=jbig*iint; in coulomb() 858 Jaux[L][M+Mmax].submat(ifirst,ifirst,ilast,ilast)+=jsmall*iint; in coulomb() [all …]
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/dports/games/angband/Angband-4.2.2/src/ |
H A D | ui-equip-cmp.c | 172 int ifirst; member 487 s->ifirst = (s->ifirst < s->maxpage) ? in handle_key_equip_cmp_general() 497 s->ifirst = (s->ifirst >= s->nfilt - s->maxpage) ? in handle_key_equip_cmp_general() 525 --s->ifirst; in handle_key_equip_cmp_general() 536 ++s->ifirst; in handle_key_equip_cmp_general() 807 s->ifirst = 0; in handle_key_equip_cmp_select() 839 if (s->ifirst < 0) { in handle_key_equip_cmp_select() 840 s->ifirst = 0; in handle_key_equip_cmp_select() 897 s->ifirst = 0; in handle_key_equip_cmp_select() 1233 s_for_file->ifirst = in append_to_file() [all …]
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/dports/cad/alliance/alliance/src/ocp/src/placer/ |
H A D | PDetPlacement.cpp | 49 Problem::iterator ifirst = _problem.begin(); in Optimize() local 52 while (ifirst != ilast) in Optimize() 53 *It++ = (*ifirst++)->GetLeftCornerX(); in Optimize() 119 ifirst = _problem.begin(); in Optimize() 121 while (ifirst != ilast) in Optimize() 123 *It++ = (*ifirst++)->GetLeftCornerX(); in Optimize() 136 ifirst = _problem.begin(); in Optimize() 138 while (ifirst != ilast) in Optimize() 139 (*ifirst++)->SetLeftCornerX(*It++); in Optimize()
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H A D | PPlacementGlobal.cpp | 82 if (ifirst != ilast) in GlobalPlaceDebugNetCost() 84 while (ifirst != ilast) in GlobalPlaceDebugNetCost() 85 bbox.Merge((*ifirst++)->GetPos()); in GlobalPlaceDebugNetCost() 91 ifirst = net.GetElems().begin(); in GlobalPlaceDebugNetCost() 93 while (ifirst != ilast) in GlobalPlaceDebugNetCost() 95 toplaceins = dynamic_cast<PToPlaceIns*>(*ifirst++); in GlobalPlaceDebugNetCost() 151 if (ifirst == ilast) in GetNetCost() 157 while (ifirst != ilast) in GetNetCost() 158 bbox.Merge((*ifirst++)->GetPos()); in GetNetCost() 164 ifirst = net.GetElems().begin(); in GetNetCost() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/dft/ |
H A D | dft_3dacc.F | 2 , ifirst,ilast,jfirst,jlast,ldin) 8 integer ifirst,ilast,jfirst,jlast 18 lo(2)=ifirst 26 , ifirst,ilast,jfirst,jlast,ldin) 32 integer ifirst,ilast,jfirst,jlast 55 lo(2)=ifirst
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/dports/devel/libcidr/libcidr-1.2.3/src/test/compare/ |
H A D | compare.c | 17 char *ifirst, *isecond; in main() local 29 ifirst = argv[1]; in main() 32 if(ifirst==NULL || strlen(ifirst)==0 in main() 40 first = cidr_from_str(ifirst); in main() 45 printf("Error: Can't parse cidr-block '%s'\n", ifirst); in main()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/dft/ |
H A D | dft_3dacc.F | 2 , ifirst,ilast,jfirst,jlast,ldin) 8 integer ifirst,ilast,jfirst,jlast 18 lo(2)=ifirst 26 , ifirst,ilast,jfirst,jlast,ldin) 32 integer ifirst,ilast,jfirst,jlast 55 lo(2)=ifirst
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/dports/science/siconos/siconos-4.4.0/externals/numeric_bindings/boost/numeric/bindings/lapack/auxiliary/ |
H A D | larrb.hpp | 53 const float* lld, const fortran_int_t ifirst, in larrb() argument 59 LAPACK_SLARRB( &n, d, lld, &ifirst, &ilast, &rtol1, &rtol2, &offset, w, in larrb() 70 const double* lld, const fortran_int_t ifirst, in larrb() argument 76 LAPACK_DLARRB( &n, d, lld, &ifirst, &ilast, &rtol1, &rtol2, &offset, w, in larrb() 102 const VectorLLD& lld, const fortran_int_t ifirst, in invoke() 137 bindings::begin_value(lld), ifirst, ilast, rtol1, rtol2, in invoke() 155 const VectorLLD& lld, const fortran_int_t ifirst, in invoke() 165 return invoke( n, d, lld, ifirst, ilast, rtol1, rtol2, offset, w, in invoke() 180 const VectorLLD& lld, const fortran_int_t ifirst, in invoke() 227 const fortran_int_t ifirst, const fortran_int_t ilast, in larrb() argument [all …]
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/src/lapack/ |
H A D | slarrf.c | 9 lld, integer *ifirst, integer *ilast, real *w, real *dplus, real * in slarrf_() argument 119 if (*ifirst == 1) { in slarrf_() 120 sigma = w[*ifirst]; in slarrf_() 132 if (*ifirst == 1) { in slarrf_() 146 if (*ifirst == 1) { in slarrf_() 166 for (i__ = *ifirst; i__ <= i__1; ++i__) { in slarrf_()
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H A D | dlarrf.c | 9 doublereal *ld, doublereal *lld, integer *ifirst, integer *ilast, in dlarrf_() argument 120 if (*ifirst == 1) { in dlarrf_() 121 sigma = w[*ifirst]; in dlarrf_() 133 if (*ifirst == 1) { in dlarrf_() 147 if (*ifirst == 1) { in dlarrf_() 167 for (i__ = *ifirst; i__ <= i__1; ++i__) { in dlarrf_()
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | remove_intramol_pressure.f90 | 25 integer :: ifirst, ilast, natoms_mol, imol, ix, ia local 33 ifirst = nZmolStartAtom(imol) 35 ilast = ifirst + natoms_mol - 1 37 fmean = sum(fa(ix,ifirst:ilast)) / natoms_mol 38 do ia = ifirst, ilast
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
H A D | dim_tabcd.F | 50 integer iat, inizia, ifinia, nbfia, nnia, ifirst, ilast 83 ifirst = cetobfr(1,iat) 86 nbfia = ilast - ifirst + 1 108 & nnja,ifirst,jfirst,ibf(inizia),ibf(inizja)) 111 & nnja,ifirst,jfirst,ibf(inizia),ibf(inizja)) 121 call dft_3dacc(g_vdim, TTmat, jrsh, jrsh2, ifirst, 133 $ jfirst, jlast, ifirst, ilast, nbfja)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
H A D | dim_tabcd.F | 50 integer iat, inizia, ifinia, nbfia, nnia, ifirst, ilast 83 ifirst = cetobfr(1,iat) 86 nbfia = ilast - ifirst + 1 108 & nnja,ifirst,jfirst,ibf(inizia),ibf(inizja)) 111 & nnja,ifirst,jfirst,ibf(inizia),ibf(inizja)) 121 call dft_3dacc(g_vdim, TTmat, jrsh, jrsh2, ifirst, 133 $ jfirst, jlast, ifirst, ilast, nbfja)
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