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/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/Zn2O2/3_eps/epsilon_ff/reference/
H A DOUT.eps134 ### 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 …]
/dports/science/berkeleygw/BGW-2.0.0/Sigma/
H A Dinput_outer.f9036 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 …]
H A Dinput.f9065 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 …]
H A Dgenwf_mpi.f9039 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)
/dports/science/berkeleygw/BGW-2.0.0/BSE/
H A Dinput_kernel.f9044 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 …]
H A Dinput_co.f9050 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 …]
H A Dinput_co_q.f9057 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 …]
H A Dinput_fi.f9053 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 …]
/dports/java/openjdk8/jdk8u-jdk8u312-b07.1/hotspot/src/share/vm/memory/
H A Dspecialized_oop_closures.cpp56 _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()
/dports/java/openjdk8-jre/jdk8u-jdk8u312-b07.1/hotspot/src/share/vm/memory/
H A Dspecialized_oop_closures.cpp56 _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()
/dports/science/wannier90/wannier90-3.1.0/src/
H A Dsitesym.F90149 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 …]
/dports/science/berkeleygw/BGW-2.0.0/Epsilon/
H A Dmtxelmultiply.f9059 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))
H A Dchi_convergence.f9097 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)
H A Dchi_summation.f90260 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 …]
H A Dmtxel.f90100 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
/dports/science/berkeleygw/BGW-2.0.0/Common/
H A Dscissors.f9041 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_cp2k_restarts_util.F51 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
H A Dinput_restart_rng.F51 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
H A Dinput_restart_force_eval.F548 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_cp2k_restarts_util.F51 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
H A Dinput_restart_rng.F51 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
H A Dinput_restart_force_eval.F546 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 …]
/dports/science/berkeleygw/BGW-2.0.0/NonLinearOptics/
H A Dinput.f9039 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 …]
/dports/science/berkeleygw/BGW-2.0.0/PlotXct/
H A Dinput.f9045 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)
/dports/math/R-cran-gss/gss/R/
H A Dpredict.ssanova0.R35 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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