/dports/deskutils/treesheets/treesheets-1.0.2/lobster/src/lobster/ |
H A D | wfc.h | 172 auto &nncell = cells[pnn.y][pnn.x]; in WaveFunctionCollapse() local 173 if (nncell.state != State::CLOSED) { in WaveFunctionCollapse() 181 nncell.wf &= superopts; in WaveFunctionCollapse() 182 nncell.popcnt = PopCount(nncell.wf); in WaveFunctionCollapse() 184 totalnnumopts += nncell.popcnt; in WaveFunctionCollapse()
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/dports/science/wannier90/wannier90-3.1.0/src/ |
H A D | kmesh.F90 | 303 nncell(1, nkp, nnx) = l 304 nncell(2, nkp, nnx) = m 305 nncell(3, nkp, nnx) = n 340 nncell(1, nkp, bnum) = l 341 nncell(2, nkp, bnum) = m 342 nncell(3, nkp, bnum) = n 521 nncell_tmp(:, :, :) = nncell(:, :, :) 525 deallocate (nncell, stat=ierr) 560 nncell(1, 1, na) = nncell_tmp(1, 1, nn) 792 if (allocated(nncell)) then [all …]
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H A D | overlap.F90 | 95 use w90_parameters, only: num_bands, num_wann, num_kpts, nntot, nncell, nnlist, & 171 (nnl .eq. nncell(1, nkp, inn)) .and. & 172 (nnm .eq. nncell(2, nkp, inn)) .and. & 173 (nnn .eq. nncell(3, nkp, inn))) then
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H A D | wannier_lib.F90 | 179 nncell_loc(:, :, 1:nntot) = nncell(:, :, 1:nntot)
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H A D | parameters.F90 | 438 integer, public, save, allocatable :: nncell(:, :, :) ! gives BZ of each neighbour of each k-point variable 2116 if (allocated(nncell)) deallocate (nncell) 2117 allocate (nncell(3, num_kpts, nntot), stat=ierr) 2122 nncell(:, k, nnkpts_idx(k)) = nnkpts_block(3:, i) 6407 allocate (nncell(3, num_kpts, nntot), stat=ierr) 6423 call comms_bcast(nncell(1, 1, 1), 3*num_kpts*nntot)
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/dports/science/elk/elk-7.2.42/src/ |
H A D | writew90mmn.f90 | 42 vl(:)=dble(nncell(:,ik,i))+vkl(:,jk)-vkl(:,ik) 60 write(50,'(5I8)') ik,jk,nncell(:,ik,i)
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H A D | setupw90.f90 | 43 nncell,num_bands,num_wann,proj_site,proj_l,proj_m,proj_radial,proj_z,proj_x, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_wannier90.F | 169 INTEGER, ALLOCATABLE, DIMENSION(:, :, :) :: nncell local 286 ALLOCATE (nncell(3, num_kpts, num_nnmax)) 288 nncell = 0 294 kpt_latt, nntot, nnlist, nncell, iw) 300 CALL mp_sum(nncell, para_env%group) 406 bvec(1:3) = kpt_latt(1:3, nnlist(ik, i)) - kpt_latt(1:3, ik) + nncell(1:3, ik, i) 538 WRITE (iunit, "(2I8,3I5)") ik, ik2, nncell(1:3, ik, i) 617 DEALLOCATE (nnlist, nncell)
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H A D | wannier90.F | 100 INTEGER, ALLOCATABLE :: nncell(:, :, :) ! gives BZ of each neighbour of each k-point variable 193 nncell_loc(:, :, 1:nntot) = nncell(:, :, 1:nntot) 196 DEALLOCATE (nncell, neigh, nnlist) 448 ALLOCATE (nncell(3, num_kpts, nntot)) 491 nncell(1, nkp, nnx) = l 492 nncell(2, nkp, nnx) = m 493 nncell(3, nkp, nnx) = n
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_wannier90.F | 169 INTEGER, ALLOCATABLE, DIMENSION(:, :, :) :: nncell local 286 ALLOCATE (nncell(3, num_kpts, num_nnmax)) 288 nncell = 0 294 kpt_latt, nntot, nnlist, nncell, iw) 300 CALL mp_sum(nncell, para_env%group) 406 bvec(1:3) = kpt_latt(1:3, nnlist(ik, i)) - kpt_latt(1:3, ik) + nncell(1:3, ik, i) 538 WRITE (iunit, "(2I8,3I5)") ik, ik2, nncell(1:3, ik, i) 617 DEALLOCATE (nnlist, nncell)
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H A D | wannier90.F | 100 INTEGER, ALLOCATABLE :: nncell(:, :, :) ! gives BZ of each neighbour of each k-point variable 193 nncell_loc(:, :, 1:nntot) = nncell(:, :, 1:nntot) 196 DEALLOCATE (nncell, neigh, nnlist) 448 ALLOCATE (nncell(3, num_kpts, nntot)) 491 nncell(1, nkp, nnx) = l 492 nncell(2, nkp, nnx) = m 493 nncell(3, nkp, nnx) = n
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/dports/science/wannier90/wannier90-3.1.0/src/postw90/ |
H A D | get_oper.F90 | 260 transl_inv, nncell, effective_model 408 (nnl .eq. nncell(1, ik, inn)) .and. & 409 (nnm .eq. nncell(2, ik, inn)) .and. & 410 (nnn .eq. nncell(3, ik, inn))) then 510 timing_level, nncell, scissors_shift 592 (nnl .eq. nncell(1, ik, inn)) .and. & 593 (nnm .eq. nncell(2, ik, inn)) .and. & 594 (nnn .eq. nncell(3, ik, inn))) then 1108 transl_inv, nncell, spn_formatted, eigval, & 1346 (nnl .eq. nncell(1, ik, inn)) .and. & [all …]
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H A D | postw90_common.F90 | 449 allocate (nncell(3, num_kpts, nntot), stat=ierr) 465 call comms_bcast(nncell(1, 1, 1), 3*num_kpts*nntot)
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/dports/science/wannier90/wannier90-3.1.0/doc/user_guide/ |
H A D | wannier.tex | 40 \verb# gamma_only,spinors,nntot,nnlist,nncell,num_bands,num_wann,proj_site,#\\ 83 \verb# intent(out) :: nncell#\\ 262 \verb#nncell(1:3,nkp,nn)#
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