/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/Zn2O2/3_eps/epsilon_ff/reference/ |
H A D | OUT.eps | 134 ### irk= 1 (nrk= 120) 135 ### irk= 2 (nrk= 120) 136 ### irk= 3 (nrk= 120) 137 ### irk= 4 (nrk= 120) 138 ### irk= 5 (nrk= 120) 139 ### irk= 6 (nrk= 120) 140 ### irk= 7 (nrk= 120) 141 ### irk= 8 (nrk= 120) 142 ### irk= 9 (nrk= 120) 143 ### irk= 10 (nrk= 120) [all …]
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/dports/science/berkeleygw/BGW-2.0.0/Sigma/ |
H A D | input_outer.f90 | 36 integer :: i,j,k,ikn,irk,nbnmin,nbnmax, & local 128 do irk=1,kp_outer%nrk 129 qk(:)=kp_outer%rk(:,irk) 135 call read_binary_gvectors(25, kp_outer%ngk(irk), kp_outer%ngk(irk), gvec_kpt%components) 137 do i = 1, kp_outer%ngk(irk) 151 if(sig%indkn(ikn).eq.irk) then 154 wfnk%nkpt=kp_outer%ngk(irk) 203 call checknorm('WFN_outer',i,irk,kp_outer%ngk(irk),k,kp_outer%nspinor,zc(:,:)) 209 do j=1,kp_outer%ngk(irk) 229 wfnkmpi%nkptotal(ikn)=kp_outer%ngk(irk) [all …]
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H A D | input.f90 | 65 integer :: ikn, irk, nq local 597 do irk=1,kp%nrk 610 write(0,'(3f10.5)') ((kp%rk(i,irk),i=1,3),irk=1,kp%nrk) 652 write(0,'(3f10.5)') ((kp%rk(i,irk),i=1,3),irk=1,kp%nrk) 1122 integer :: ikn, irk local 1230 do irk=1,kp%nrk 1237 qk(:)=kp%rk(:,irk) 1310 wfnkqmpi%nkptotal(irk) = kp%ngk(irk) 1311 wfnkqmpi%isort(1:kp%ngk(irk),irk) = isort(1:kp%ngk(irk)) 1390 wfnkqmpi%cg(1:kp%ngk(irk),inum,k,irk)= & [all …]
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H A D | genwf_mpi.f90 | 39 integer :: ii,iin,ik,irk,ikn1,it,iband,ispin, igk 57 irk_loop: do irk=1,kp%nrk 60 qk(ii) = DOT_PRODUCT(dble(syms%mtrx(ii,:,it)),kp%rk(:,irk)) 71 ikn1 = irk 133 zin(1:nkpt2,ispin)=wfnkqmpi%cg(1:nkpt2,iin,ispin,irk) 172 write(0,*) 'Bad norm: irk=',irk,'ispin=',ispin,'norm=',xnorm(iin,ispin)
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/dports/science/berkeleygw/BGW-2.0.0/BSE/ |
H A D | input_kernel.f90 | 44 integer :: ickmem,irk local 359 do irk=1,kp%nrk 362 if (irk == indxk(ii)) then 369 call read_binary_gvectors(25, kp%ngk(irk), kp%ngk(irk), gvec_kpt%components) 373 do ii = 1, kp%ngk(irk) 378 wfnv%ng=kp%ngk(irk) 379 wfnc%ng=kp%ngk(irk) 391 call read_binary_data(25, kp%ngk(irk), kp%ngk(irk), kp%nspin*kp%nspinor, cg,bcast=.false.) 397 … if (ii .ge. (kp%ifmax(irk,is)-xct%nvb_co+1) .and. ii .le. (kp%ifmax(irk,is)+xct%ncb_co)) then 402 do ig=1, kp%ngk(irk) [all …]
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H A D | input_co.f90 | 50 integer :: irk,irks,ik,ikq,umk local 375 do irk=1,kp_co%nrk 376 call progress_step(prog_info, irk) 379 if (indxk(ii) == irk) then 386 call read_binary_gvectors(25, kp_co%ngk(irk), kp_co%ngk(irk), gvec_kpt%components) 390 do ii = 1, kp_co%ngk(irk) 395 wfnv%ng=kp_co%ngk(irk) 396 wfnc%ng=kp_co%ngk(irk) 413 call read_binary_data(25, kp_co%ngk(irk), kp_co%ngk(irk), & 420 … if (ii .gt. (kp_co%ifmax(irk,is)-xct%nvb_co) .and. ii .le. (kp_co%ifmax(irk,is)+xct%ncb_co)) then [all …]
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H A D | input_co_q.f90 | 57 integer :: irk,irks,ik,ikq,umk local 231 do irk=1,kpq%nrk 234 write(6,*) "Reading kpoint: ",irk 237 call progress_step(prog_info, irk) 240 if (indxkq(ii) == irk) then 247 call read_binary_gvectors(26, kpq%ngk(irk), kpq%ngk(irk), gvec_kpt%components) 252 do ii = 1, kpq%ngk(irk) 257 wfnv%ng=kpq%ngk(irk) 269 … call read_binary_data(26, kpq%ngk(irk), kpq%ngk(irk), kpq%nspin*kpq%nspinor, cg, bcast=.false.) 276 if (ii .gt. (kpq%ifmax(irk,is)-xct%nvb_co) .and. ii .le. (kpq%ifmax(irk,is))) then [all …]
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H A D | input_fi.f90 | 53 integer :: ii,jj,kk,nn,nmat,is,isp,ik,irk,irk_kp,ib,ib_kp local 320 do irk=1,kp%nrk 321 call progress_step(prog_info, irk) 324 if (irk.eq.indxk(ii)) then 330 wfnc%ng = kp%ngk(irk) 348 do ii = 1, kp%ngk(irk) 407 call read_binary_data(25, kp%ngk(irk), kp%ngk(irk), kp%nspin*kp%nspinor, & 429 cgarray(1:kp%ngk(irk))=cg(1:kp%ngk(irk), is*isp) 582 do irk=1,xct%nkpt_fi 584 irk_kp = indxk(kg%indr(irk)) [all …]
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/dports/java/openjdk8/jdk8u-jdk8u312-b07.1/hotspot/src/share/vm/memory/ |
H A D | specialized_oop_closures.cpp | 56 _numCallsTotal[ik] + _numCallsTotal[irk] + _numCallsTotal[oa]; in print() 58 _numCalls_nv[ik] + _numCalls_nv[irk] + _numCalls_nv[oa]; in print() 63 int real_ik_numCallsTotal = _numCallsTotal[ik] - _numCallsTotal[irk]; in print() 64 int real_ik_numCalls_nv = _numCalls_nv[ik] - _numCalls_nv[irk]; in print() 81 _numCallsTotal[irk], _numCalls_nv[irk], in print() 82 100.0 * (float)_numCalls_nv[irk] / (float)_numCallsTotal[irk]); in print() 96 _numDoOopCallsTotal[ik] + _numDoOopCallsTotal[irk] + _numDoOopCallsTotal[oa]; in print() 98 _numDoOopCalls_nv[ik] + _numDoOopCalls_nv[irk] + _numDoOopCalls_nv[oa]; in print()
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/dports/java/openjdk8-jre/jdk8u-jdk8u312-b07.1/hotspot/src/share/vm/memory/ |
H A D | specialized_oop_closures.cpp | 56 _numCallsTotal[ik] + _numCallsTotal[irk] + _numCallsTotal[oa]; in print() 58 _numCalls_nv[ik] + _numCalls_nv[irk] + _numCalls_nv[oa]; in print() 63 int real_ik_numCallsTotal = _numCallsTotal[ik] - _numCallsTotal[irk]; in print() 64 int real_ik_numCalls_nv = _numCalls_nv[ik] - _numCalls_nv[irk]; in print() 81 _numCallsTotal[irk], _numCalls_nv[irk], in print() 82 100.0 * (float)_numCalls_nv[irk] / (float)_numCallsTotal[irk]); in print() 96 _numDoOopCallsTotal[ik] + _numDoOopCallsTotal[irk] + _numDoOopCallsTotal[oa]; in print() 98 _numDoOopCalls_nv[ik] + _numDoOopCalls_nv[irk] + _numDoOopCalls_nv[oa]; in print()
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/dports/science/wannier90/wannier90-3.1.0/src/ |
H A D | sitesym.F90 | 149 irk = kptsym(isym, ir) 150 if (ldone(irk)) cycle 151 ldone(irk) = .true. 194 lfound(irk) = .true. 260 irk = kptsym(isym, ir) 261 if (irk .eq. ik) cycle 262 if (ldone(irk)) cycle 263 ldone(irk) = .true. 303 irk = kptsym(isym, ir) 304 if (lfound(irk)) cycle [all …]
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/dports/science/berkeleygw/BGW-2.0.0/Epsilon/ |
H A D | mtxelmultiply.f90 | 59 integer :: irk, iv, ilimit, j, it, icurr, itot, mytot 73 do irk = 1, nrk 74 do it = 1, nst(irk) 77 tmprowindex(icurr) = indt(scal%imyrowd(icurr,ipe),it,irk) 78 tmprowph(icurr) = pht(scal%imyrowd(icurr,ipe),it,irk) 81 tmpcolindex(icurr) = indt(scal%imycold(icurr,ipe),it,irk) 82 tmpcolph(icurr) = pht(scal%imycold(icurr,ipe),it,irk) 97 ispin,irk,pol%nfreq_group)* & 103 MYCONJG(polgme(tmpcolindex(icurr),j,iv,ispin,irk,pol%nfreq_group)*tmpcolph(icurr))
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H A D | chi_convergence.f90 | 97 integer :: ispin,irk,iv,ic,istar,isend,iown 109 do irk = 1, nrk 110 do istar = 1, nst(irk) 112 mod_square_phthead=pht(1,istar,irk)*MYCONJG(pht(1,istar,irk)) 113 mod_square_phtmaxG=pht(pol%nmtx,istar,irk)*MYCONJG(pht(pol%nmtx,istar,irk)) 121 gmehead = pol%gme(indt(1,istar,irk),iown,peinf%indexv(iv), & 122 ispin,irk,pol%nfreq_group) 123 gmemaxG = pol%gme(indt(pol%nmtx,istar,irk),iown,peinf%indexv(iv), & 124 ispin,irk,pol%nfreq_group)
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H A D | chi_summation.f90 | 260 do irk = 1, nrk 261 ntot2=ntot2 + nst(irk) 1286 do irk=1,nrk 1945 do irk = 1, nrk 1946 ntot2=ntot2 + nst(irk) 2182 do irk = 1, nrk 2183 do it = 1, nst(irk) 3029 do irk = 1, nrk 3030 ntot2=ntot2 + nst(irk) 3282 do irk = 1, nrk [all …]
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H A D | mtxel.f90 | 100 integer, intent(in) :: ispin,irk local 153 pol%gme(ig, ic_loc, iv_loc, ispin, irk, freq_idx) = ZERO 233 pol%gme(ia, ic_loc, iv_loc, ispin, irk, freq_idx) = & 234 pol%gme(ia, ic_loc, iv_loc, ispin, irk, freq_idx) + MYCONJG(tmparray(ia))*kfact 246 pol%gme(ia, ic_loc, iv_loc, ispin, irk, 1) = & 247 pol%gme(ia, ic_loc, iv_loc, ispin, irk, 1) * & 338 pol%edenDyn(iv_loc, ic_loc, ispin, irk, freq_idx) = eden
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/dports/science/berkeleygw/BGW-2.0.0/Common/ |
H A D | scissors.f90 | 41 integer :: is, irk, ib local 57 do irk=1,kp%nrk 62 if ( (kp%el(ib,irk,is) > spline_emin) .and. & 63 (kp%el(ib,irk,is) < spline_emax) ) then 70 call splev_shift( spl_tck, kp%el(ib,irk,is) ) 73 if(ib <= kp%ifmax(irk,is)) then 74 kp%el(ib,irk,is) = scissors_function(kp%el(ib, irk, is), scis%val) 76 kp%el(ib,irk,is) = scissors_function(kp%el(ib, irk, is), scis%cond)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_cp2k_restarts_util.F | 51 INTEGER :: handle, ik, irk, Nlist, nloop local 84 DO irk = 1, nloop 87 IF (PRESENT(particles)) vel = particles%els(irk)%v(1:3)*conv_factor 88 IF (PRESENT(velocity)) vel = velocity(1:3, irk)*conv_factor 93 IF (irk == 1) THEN 102 IF (irk == 1) THEN
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H A D | input_restart_rng.F | 51 INTEGER :: ik, irk, Nlist local 82 DO irk = 1, nsize 84 CALL ascii_to_string(ascii(:, irk), rng_record) 88 IF (irk == 1) THEN 97 IF (irk == 1) THEN
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H A D | input_restart_force_eval.F | 548 DO irk = 1, particles%n_els 562 IF (irk == 1) THEN 571 IF (irk == 1) THEN 610 IF (irk == 1) THEN 619 IF (irk == 1) THEN 681 DO irk = 1, nloop 688 IF (irk == 1) THEN 697 IF (irk == 1) THEN 758 DO irk = 1, nloop 771 IF (irk == 1) THEN [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_cp2k_restarts_util.F | 51 INTEGER :: handle, ik, irk, Nlist, nloop local 84 DO irk = 1, nloop 87 IF (PRESENT(particles)) vel = particles%els(irk)%v(1:3)*conv_factor 88 IF (PRESENT(velocity)) vel = velocity(1:3, irk)*conv_factor 93 IF (irk == 1) THEN 102 IF (irk == 1) THEN
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H A D | input_restart_rng.F | 51 INTEGER :: ik, irk, Nlist local 82 DO irk = 1, nsize 84 CALL ascii_to_string(ascii(:, irk), rng_record) 88 IF (irk == 1) THEN 97 IF (irk == 1) THEN
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H A D | input_restart_force_eval.F | 546 DO irk = 1, particles%n_els 560 IF (irk == 1) THEN 569 IF (irk == 1) THEN 608 IF (irk == 1) THEN 617 IF (irk == 1) THEN 679 DO irk = 1, nloop 686 IF (irk == 1) THEN 695 IF (irk == 1) THEN 756 DO irk = 1, nloop 769 IF (irk == 1) THEN [all …]
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/dports/science/berkeleygw/BGW-2.0.0/NonLinearOptics/ |
H A D | input.f90 | 39 integer :: ii,jj,kk,irk local 332 do irk=1,kp%nrk 337 write(6,*) 'proc 0 starting kpoint = ', irk 342 if (irk == indxk(ii)) then 351 SAFE_ALLOCATE(gvec_kpt%components, (3, kp%ngk(irk))) 352 call read_binary_gvectors(25, kp%ngk(irk), kp%ngk(irk), gvec_kpt%components) 354 SAFE_ALLOCATE(cg, (kp%ngk(irk),kp%nspin*kp%nspinor)) 357 do ii = 1, kp%ngk(irk) 362 wfnc%ng = kp%ngk(irk) 396 call read_binary_data(25, kp%ngk(irk), kp%ngk(irk), kp%nspin*kp%nspinor, cg) [all …]
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/dports/science/berkeleygw/BGW-2.0.0/PlotXct/ |
H A D | input.f90 | 45 integer :: ii,jj,irk local 226 do irk=1,kp%nrk 228 inp%ng = kp%ngk(irk) 233 if (irk.eq.indxk(ii)) then 239 if (peinf%inode==0) write(6,*) 'irk=',irk,' rk=',kp%rk(:,irk) 263 call read_gvecs(inp, irk, gvec) 266 call read_bands(inp, irk)
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/dports/math/R-cran-gss/gss/R/ |
H A D | predict.ssanova0.R | 35 irk <- term[[label]]$irk functionVar 38 rklist <- c(rklist,irk+(i-1)) 105 irk <- term[[label]]$irk 108 ind <- irk+(i-1)
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