/dports/science/siesta/siesta-4.1.5/Util/HSX/ |
H A D | hsx_m.f90 | 161 do im=1,hsx%numh(io) 170 do im=1,hsx%numh(io) 182 do im=1,hsx%numh(io) 197 do im=1,hsx%numh(io) 412 do im=1,hsx%numh(io) 437 do im=1,hsx%numh(io) 456 do im=1,hsx%numh(io) 574 write(iu) numh(ih) 580 do im = 1,numh(hl) 598 do im = 1,numh(hl) [all …]
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H A D | iohs.F | 188 numh(ih) = numhg(hl) 215 do im = 1,numh(hl) 252 do im = 1,numh(hl) 286 do im = 1,numh(hl) 339 do im = 1,numh(hl) 418 numhg(ih) = numh(hl) 422 call MPI_ISend(numh(hl),1,MPI_integer, 460 do im = 1,numh(hl) 502 do im=1,numh(hl) 538 do im = 1,numh(hl) [all …]
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/dports/science/siesta/siesta-4.1.5/Util/COOP/ |
H A D | io_hs.f90 | 61 allocate (numh(nao), listhptr(nao), listh(nh)) 70 if (debug) print *, "numhg ", io, numh(io) 73 numx = maxval(numh(:)) 80 listhptr(io)=listhptr(io-1)+numh(io-1) 85 read(hs_u,iostat=iostat) (ibuff(im), im=1,numh(io)) 87 do im=1,numh(io) 95 read(hs_u,iostat=iostat) (hbuff(im), im=1,numh(io)) 97 do im=1,numh(io) 107 read(hs_u,iostat=iostat) (hbuff(im), im=1,numh(io)) 109 do im=1,numh(io) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/ |
H A D | pre_rtdbsq.F | 37 integer i,num,numh 72 numh=0 86 numh=numh+1 87 if(numh.lt.10) then 88 write(catm(1,i)(3:3),'(i1.1)') numh 90 if(numh.lt.100) then 91 write(catm(1,i)(3:4),'(i2.2)') numh 93 write(catm(1,i)(3:5),'(i3.3)') numh
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_prep_rtdbsq.F | 37 integer i,num,numh 72 numh=0 86 numh=numh+1 87 if(numh.lt.10) then 88 write(catm(1,i)(3:3),'(i1.1)') numh 90 if(numh.lt.100) then 91 write(catm(1,i)(3:4),'(i2.2)') numh 93 write(catm(1,i)(3:5),'(i3.3)') numh
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H A D | argos_prepare_rtdbsq.F | 37 integer i,num,numh 72 numh=0 86 numh=numh+1 87 if(numh.lt.10) then 88 write(catm(1,i)(3:3),'(i1.1)') numh 90 if(numh.lt.100) then 91 write(catm(1,i)(3:4),'(i2.2)') numh 93 write(catm(1,i)(3:5),'(i3.3)') numh
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/ |
H A D | pre_rtdbsq.F | 37 integer i,num,numh 72 numh=0 86 numh=numh+1 87 if(numh.lt.10) then 88 write(catm(1,i)(3:3),'(i1.1)') numh 90 if(numh.lt.100) then 91 write(catm(1,i)(3:4),'(i2.2)') numh 93 write(catm(1,i)(3:5),'(i3.3)') numh
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_prepare_rtdbsq.F | 37 integer i,num,numh 72 numh=0 86 numh=numh+1 87 if(numh.lt.10) then 88 write(catm(1,i)(3:3),'(i1.1)') numh 90 if(numh.lt.100) then 91 write(catm(1,i)(3:4),'(i2.2)') numh 93 write(catm(1,i)(3:5),'(i3.3)') numh
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H A D | argos_prep_rtdbsq.F | 37 integer i,num,numh 72 numh=0 86 numh=numh+1 87 if(numh.lt.10) then 88 write(catm(1,i)(3:3),'(i1.1)') numh 90 if(numh.lt.100) then 91 write(catm(1,i)(3:4),'(i2.2)') numh 93 write(catm(1,i)(3:5),'(i3.3)') numh
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/dports/x11-fonts/p5-Font-TTF/Font-TTF-1.06/lib/Font/TTF/ |
H A D | Hmtx.pm | 51 my ($numh, $numg); 53 $numh = $self->{' PARENT'}{'hhea'}->read->{'numberOfHMetrics'}; 55 $self->_read($numg, $numh, "advance", "lsb"); 60 my ($self, $numg, $numh, $tAdv, $tLsb) = @_; 66 for ($i = 0; $i < $numh; $i++) 77 $self->{$tAdv}[$i] = $self->{$tAdv}[$numh - 1]; 117 my ($numh) = $self->{' PARENT'}{'hhea'}->read->{'numberOfHMetrics'}; 118 $self->_out($fh, $numg, $numh, "advance", "lsb"); 123 my ($self, $fh, $numg, $numh, $tAdv, $tLsb) = @_; 132 if ($i >= $numh)
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H A D | Vmtx.pm | 51 my ($numh, $numg); 53 $numh = $self->{' PARENT'}{'vhea'}->read->{'numberOfVMetrics'}; 55 $self->_read($numg, $numh, "advance", "top"); 70 my ($numh) = $self->{' PARENT'}{'vhea'}{'numberOfVMetrics'}; 71 $self->_out($fh, $numg, $numh, "advance", "top");
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/dports/textproc/p5-PDF-API3/PDF-API3-3.001/lib/PDF/API3/Compat/API2/Basic/TTF/ |
H A D | Hmtx.pm | 77 my ($numh, $numg); 79 $numh = $self->{' PARENT'}{'hhea'}->read->{'numberOfHMetrics'}; 81 $self->_read($numg, $numh, "advance", "lsb"); 86 my ($self, $numg, $numh, $tAdv, $tLsb) = @_; 92 for ($i = 0; $i < $numh; $i++) 103 $self->{$tAdv}[$i] = $self->{$tAdv}[$numh - 1]; 143 my ($numh) = $self->{' PARENT'}{'hhea'}->read->{'numberOfHMetrics'}; 144 $self->_out($fh, $numg, $numh, "advance", "lsb"); 149 my ($self, $fh, $numg, $numh, $tAdv, $tLsb) = @_; 158 if ($i >= $numh)
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H A D | Vmtx.pm | 77 my ($numh, $numg); 79 $numh = $self->{' PARENT'}{'vhea'}->read->{'numberOfVMetrics'}; 81 $self->_read($numg, $numh, "advance", "top"); 96 my ($numh) = $self->{' PARENT'}{'vhea'}{'numberOfVMetrics'}; 97 $self->_out($fh, $numg, $numh, "advance", "top");
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | m_hsx.F | 126 numhg(ih) = numh(hl) 130 call MPI_ISend(numh(hl),1,MPI_integer, 208 $ im=1,numh(hl)) 248 call MPI_ISend(S(listhptr(hl)+1),numh(hl), 291 $ k=1,3),im =1,numh(hl)) 352 $ maxnh, numh, listhptr, listh, H, S) 433 numhg(ih) = numh(hl) 437 call MPI_ISend(numh(hl),1,MPI_integer, 525 $ im=1,numh(hl)) 566 $ im = 1,numh(hl)) [all …]
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H A D | diagon.F | 16 . maxo, numh, listhptr, listh, numd, 130 . indxuo(no), listh(maxnh), numh(*), listd(maxnd), numd(*), 226 . maxnd, maxo, numh, 250 . maxo, numh, listhptr, listh, numd, listdptr, 275 call diag2g( nuo, no, maxnh, maxnd, maxo, numh, 283 . numh, listhptr, listh, numd, listdptr, 292 . maxnh, numh, listhptr, listh, H, S, getD, 299 call diag2k( nuo, no, maxnh, maxnd, maxo, numh, 309 call diag3g( nuo, no, maxnh, maxnd, maxo, numh, 318 . maxnh, numh, listhptr, listh, H, S, getD, [all …]
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H A D | m_writedelk.F | 12 . numh, listhptr, listh, delkmat, S, qtot, temp, xij) 64 integer indxuo(no_s), listh(maxnh), numh(*), listhptr(*) 130 numhg(ih) = numh(hl) 134 call MPI_ISend(numh(hl),1,MPI_integer, 176 do im = 1, numh(hl) 220 do im = 1, numh(hl) 234 call MPI_ISend(delkmat(listhptr(hl)+1),numh(hl), 261 do im = 1, numh(hl) 272 call MPI_ISend(S(listhptr(hl)+1),numh(hl), 322 do im = 1, numh(hl) [all …]
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H A D | setup_H0.F | 23 use sparse_matrices, only: listh, listhptr, numh, maxnh 103 & numh, listhptr, listh, numh, listhptr, listh, 114 & numh, listhptr, listh, numh, listhptr, listh, 132 & maxnh,numh,listhptr,listh,Dscf,H_so,Eso) 145 & maxnh, numh, listhptr, listh, datm,
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H A D | compute_dm.F | 122 $ maxnh, numh, listhptr, listh, 153 $ maxnh, numh, listhptr, listh, H, S) 167 & numh, listhptr, listh, numh, listhptr, listh, 181 & istp, ncgmax, etol, eta, qtot, maxnh, numh, 197 & spin%H, no_u, maxnh, numh, listhptr, listh, Dscf, 203 & spin%H, no_u, maxnh, numh, listhptr, listh, Dscf, 213 & numh, listhptr, listh, numh, listhptr, listh,
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H A D | hsparse.F | 66 use sparse_matrices, only : listhptr, numh, listh, xijo 218 numh(io) = 0 315 numh(iio) = numh(iio) + 1 316 listhtmp(numh(iio)) = jo 323 do j = 1,numh(iio) 335 nlh = nlh + numh(io) 362 listhptr(io) = listhptr(io-1) + numh(io-1) 385 numh(iio) = 0 464 numh(iio) = numh(iio) + 1 465 ind = listhptr(iio)+numh(iio) [all …]
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H A D | final_H_f_stress.F | 23 use sparse_matrices, only: numh, listh, listhptr 139 & numh, listhptr, listh, numh, listhptr, listh, 152 & numh, listhptr, listh, numh, listhptr, listh, 169 & maxnh,numh,listhptr,listh,Dscf,H_tmp(:,3:),Eso) 182 . numh, listhptr, listh, numh, listhptr, listh, 211 & maxnh, numh, listhptr, listh, Dscf, Datm, H_tmp, 217 & lasto, iphorb, isa, maxnh, numh, listhptr, listh, 283 & maxnh, numh, listhptr, listh, H, S, Qtot,
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H A D | chempot.F | 230 num = numh(ii) 239 nu = numh(mu) 346 do i = 1,numh(j) 454 do i = 1,numh(ji) 929 do i=1,numh(j) 948 do i=1,numh(j) 1171 do i=1,numh(j) 1177 do i=1,numh(j) 1197 do i=1,numh(j) 1203 do i=1,numh(j) [all …]
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H A D | egandd.F | 11 subroutine eandg(iopt,eta,qs,lam,nhmax,numh,listh,listhptr, argument 93 . numc(no_u),numh(no_l) 212 call axb_build1(no_u,maxnct,numct,listct,nhmax,numh,listh, 231 call setglobalise(no_u,no_l,no_cl,nhmax,numh,listh, 258 . numct,listct,cttoc,numf,listf,numh,listh, 264 . listct,cttoc,numf,listf,numh,listh,listhptr, 277 . listft,fttof,numh,listh,listhptr,numhij, 283 . listft,fttof,numh,listh,listhptr,numhij, 297 . numh,listh,listhptr,numhij,listhij,dm,edm, 303 . numh,listh,listhptr,numhij,listhij,dm,edm,
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H A D | overlap.f | 32 & numh, listhptr, listh, S) 61 & lasto(0:na), listh(maxnh), numh(*), 112 do j = 1,numh(iio) 129 & numh, listhptr, listh, S, 133 & numh, listhptr, listh, S, 138 & numh, listhptr, listh, S,
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/dports/science/siesta/siesta-4.1.5/Util/TS/tshs2tshs/ |
H A D | m_ts_io_version.f90 | 23 numh, listhptr, listh, xij, & argument 40 integer, intent(in) :: numh(no_l), listhptr(no_l) local 90 write(iu) numh 98 write(iu) listh(listhptr(i)+1:listhptr(i)+numh(i)) 103 write(iu) S(listhptr(i)+1:listhptr(i)+numh(i)) 110 write(iu) H(listhptr(i)+1:listhptr(i)+numh(i),ispin) 117 write(iu) (xij(j,listhptr(i)+1:listhptr(i)+numh(i)),j=1,3)
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/dports/science/siesta/siesta-4.1.5/Util/Projections/ |
H A D | orbmol_proj.f90 | 117 integer, allocatable :: numh(:), listhptr(:), listh(:) variable 270 allocate( numh(no_u), listhptr(no_u)) 283 read(iu_hs) numh(i) 285 nnz = sum(numh(1:no_u)) 289 listhptr(ih) = listhptr(ih-1) + numh(ih-1) 294 do im = 1,numh(ih) 301 do j = 1, numh(i) 309 do im = 1,numh(ih) 318 do im = 1,numh(ih) 397 do jj = 1, numh(i)
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