/dports/science/berkeleygw/BGW-2.0.0/Common/ |
H A D | fixwings.f90 | 89 if (iscreen==SCREEN_SEMICOND) then 97 if (iscreen==SCREEN_SEMICOND) then 100 if (iscreen==SCREEN_GRAPHENE) then 121 if (q0flag .and. iscreen==SCREEN_SEMICOND) then 153 if (iscreen/=SCREEN_METAL) then 204 if (iscreen==SCREEN_SEMICOND) then 207 if (q0flag .and. iscreen==SCREEN_SEMICOND) then 213 if (iscreen==SCREEN_SEMICOND) then 216 if (iscreen==SCREEN_GRAPHENE) then 233 if (q0flag .and. iscreen==SCREEN_SEMICOND) then [all …]
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H A D | check_screening.f90 | 26 integer, intent(in) :: iscreen local 36 if (iscreen==SCREEN_METAL .and. q0len<TOL_SMALL) then 44 if (iscreen==SCREEN_GRAPHENE .and. q0len<TOL_SMALL .and. itruncflag==TRUNC_NONE) then 63 itruncflag/=TRUNC_SLAB) .and. iscreen/=SCREEN_METAL .and. q0len>=TOL_SMALL) then
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H A D | inread_common.f90 | 145 logical function try_inread_screening(keyword, line, iscreen) 147 integer, intent(inout) :: iscreen local 157 iscreen = SCREEN_SEMICOND 159 iscreen = SCREEN_GRAPHENE 161 iscreen = SCREEN_METAL
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H A D | kernel_io.F90 | 160 kernel%iscreen = xct%iscreen 205 call check_I('screening flag', xct%iscreen, kernel%iscreen)
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H A D | vcoul_generator.f90 | 58 isrtq, iscreen, qvec, q0vec, vcoul, iwritecoul, iparallel, avgcut, & argument 82 integer, intent(in) :: iscreen local 199 if (abs(qlen)<TOL_ZERO .and. iscreen==SCREEN_METAL .and. & 389 select case (iscreen) 565 if (iscreen==SCREEN_SEMICOND) then ! semiconductor 644 if (iscreen/=SCREEN_METAL) then ! semiconductor or graphene 651 if (iscreen==SCREEN_GRAPHENE) then
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H A D | kernel_io_inc.f90 | 51 READWRITE()(iunit FORMAT) kernel%iscreen, kernel%icutv, kernel%ecuts 75 call MPI_BCAST(kernel%iscreen, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, mpierr)
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H A D | typedefs.f90 | 268 …integer :: iscreen !< what type of screening is present. 0 = semiconductor, 1 = graphene, 2 = metal component 635 …integer :: iscreen !< what type of screening is present. 0 = semiconductor, 1 = graphene, 2 = metal component 931 integer :: iscreen !< screening flag component
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
H A D | schwarz.fh | 4 c iscreen(1) counts rejects in outer ij atom loop 5 c iscreen(2) counts rejects in inner ijkl atom loop 6 c iscreen(3) counts accepts in inner ijkl atom loop 7 c iscreen(4) counts rejects in inner ijkl shell loop 8 c iscreen(5) counts accepts in inner ijkl shell loop 9 C iscreen(6) counts number of Fock builds 11 integer iscreen, nscreen 14 common/cscreen/iscreen(nscreen)
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H A D | fock_2e_b.F | 101 iscreen(3) = iscreen(3) + 1 236 iscreen(5) = iscreen(5) + 1 238 iscreen(4) = iscreen(4) + 1
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H A D | schwarz_pr.F | 22 call icopy(nscreen, iscreen, 1, totals, 1)
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H A D | ao_fock_2e.F | 162 iscreen(6) = iscreen(6) + 1
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H A D | graveyard | 888 call ifill(nscreen, 0, iscreen, 1) 997 iscreen(3) = iscreen(3) + 1 1071 iscreen(2) = iscreen(2) + 1 1079 if (kat .eq. 1) iscreen(1) = iscreen(1) + 1 1192 iscreen(5) = iscreen(5) + 1 1194 iscreen(4) = iscreen(4) + 1
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
H A D | schwarz.fh | 4 c iscreen(1) counts rejects in outer ij atom loop 5 c iscreen(2) counts rejects in inner ijkl atom loop 6 c iscreen(3) counts accepts in inner ijkl atom loop 7 c iscreen(4) counts rejects in inner ijkl shell loop 8 c iscreen(5) counts accepts in inner ijkl shell loop 9 C iscreen(6) counts number of Fock builds 11 integer iscreen, nscreen 14 common/cscreen/iscreen(nscreen)
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H A D | fock_2e_b.F | 101 iscreen(3) = iscreen(3) + 1 236 iscreen(5) = iscreen(5) + 1 238 iscreen(4) = iscreen(4) + 1
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H A D | schwarz_pr.F | 22 call icopy(nscreen, iscreen, 1, totals, 1)
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H A D | ao_fock_2e.F | 162 iscreen(6) = iscreen(6) + 1
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H A D | graveyard | 888 call ifill(nscreen, 0, iscreen, 1) 997 iscreen(3) = iscreen(3) + 1 1071 iscreen(2) = iscreen(2) + 1 1079 if (kat .eq. 1) iscreen(1) = iscreen(1) + 1 1192 iscreen(5) = iscreen(5) + 1 1194 iscreen(4) = iscreen(4) + 1
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/dports/science/xtb/xtb-6.4.1/src/ |
H A D | local.f90 | 74 integer :: iscreen,icoord,ilmoi,icent ! file handles local 270 call open_file(iscreen,'xtbscreen.xyz','w') 336 write(iscreen,*) nat+1 337 write(iscreen,*) 457 write(iscreen,*) nat+1 458 write(iscreen,*) 462 write(iscreen,'(a2,3F24.10)') toSymbol(1),dtot(1:3)*autoaa 473 write(iscreen,*) nat+1 474 write(iscreen,*) 478 write(iscreen,'(a2,3F24.10)') toSymbol(1),dtot(1:3)*autoaa [all …]
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/dports/science/berkeleygw/BGW-2.0.0/BSE/ |
H A D | inread_kernel.f90 | 59 xct%iscreen=SCREEN_SEMICOND 160 elseif(try_inread_screening(trim(keyword), trim(line), xct%iscreen)) then 191 select case (xct%iscreen)
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H A D | kernel.f90 | 223 crys%bdot,crys%celvol,kg%nf,xct%ng,isrtq,xct%iscreen,vq,xct%q0vec, & 231 crys%bdot,crys%celvol,kg%nf,xct%ng,isrtq,xct%iscreen,vq,xct%q0vec, & 247 if (xct%theory .ne. 1) call check_screening_trunc(xct%icutv,xct%iscreen,xct%q0vec,crys%bdot) 251 crys%bdot,crys%celvol,kg%nf,1,isrtq,xct%iscreen,vq,xct%q0vec, & 261 crys%bdot,crys%celvol,kg%nf,1,isrtq,xct%iscreen,vq,xct%q0vec, &
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H A D | inread.f90 | 101 xct%iscreen=SCREEN_SEMICOND 373 elseif(try_inread_screening(trim(keyword), trim(line), xct%iscreen)) then 639 select case (xct%iscreen) 669 if (xct%icutv==TRUNC_NONE .and. xct%iscreen==SCREEN_SEMICOND) then
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/dports/editors/vigor/vigor-0.016/docs/interp/ |
H A D | spell.ok | 28 iscreen
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/dports/x11-wm/wmii-devel/wmii+ixp-3.9.2/cmd/wmii/ |
H A D | view.c | 109 view_init(View *v, int iscreen) { in view_init() argument 110 v->r[iscreen] = screens[iscreen]->r; in view_init() 111 v->areas[iscreen] = nil; in view_init() 112 column_new(v, nil, iscreen, 0); in view_init()
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/dports/x11/libX11/libX11-1.7.2/src/ |
H A D | OpenDis.c | 72 int iscreen; /* screen number */ in XOpenDisplay() local 129 if(!_XConnectXCB(dpy, display, &iscreen)) { in XOpenDisplay() 203 dpy->default_screen = iscreen; /* Value returned by ConnectDisplay */ in XOpenDisplay() 493 if (iscreen >= dpy->nscreens) { in XOpenDisplay()
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/dports/science/berkeleygw/BGW-2.0.0/Sigma/ |
H A D | inread.f90 | 122 sig%iscreen=SCREEN_SEMICOND 403 elseif(try_inread_screening(trim(keyword), trim(line), sig%iscreen)) then 726 select case (sig%iscreen) 755 if (sig%icutv==TRUNC_NONE .and. sig%iscreen==SCREEN_SEMICOND) then
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