Home
last modified time | relevance | path

Searched refs:ifirst (Results 1 – 25 of 435) sorted by relevance

12345678910>>...18

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/tools/
H A DODCPRG.f200 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 …]
/dports/cad/opencascade/opencascade-7.6.0/src/LocOpe/
H A DLocOpe_CurveShapeIntersector.cxx100 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 …]
H A DLocOpe_CSIntersector.cxx352 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 …]
/dports/science/helfem/HelFEM-21461e9/src/sadatom/
H A Dbasis.cpp80 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/
H A Driscf_square.F25 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/
H A Driscf_square.F25 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dscat_mat.F1 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dscat_mat.F1 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmanybody_potential.F206 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmanybody_potential.F206 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 …]
/dports/devel/ga/ga-5.8/global/examples/md_cluster/
H A Dsort.F7 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
/dports/science/helfem/HelFEM-21461e9/src/harmonic/
H A Dmain.cpp36 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 …]
/dports/science/helfem/HelFEM-21461e9/src/atomic/
H A DTwoDBasis.cpp293 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 …]
/dports/games/angband/Angband-4.2.2/src/
H A Dui-equip-cmp.c172 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 …]
/dports/cad/alliance/alliance/src/ocp/src/placer/
H A DPDetPlacement.cpp49 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()
H A DPPlacementGlobal.cpp82 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/dft/
H A Ddft_3dacc.F2 , 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
/dports/devel/libcidr/libcidr-1.2.3/src/test/compare/
H A Dcompare.c17 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()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/dft/
H A Ddft_3dacc.F2 , 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
/dports/science/siconos/siconos-4.4.0/externals/numeric_bindings/boost/numeric/bindings/lapack/auxiliary/
H A Dlarrb.hpp53 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 …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/src/lapack/
H A Dslarrf.c9 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_()
H A Ddlarrf.c9 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_()
/dports/science/siesta/siesta-4.1.5/Src/
H A Dremove_intramol_pressure.f9025 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
/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/
H A Ddim_tabcd.F50 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/
H A Ddim_tabcd.F50 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)

12345678910>>...18