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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dkpoint_types.F203 NULLIFY (kpoint%xkp, kpoint%wkp)
240 IF (ASSOCIATED(kpoint%xkp)) THEN
241 DEALLOCATE (kpoint%xkp)
366 IF (PRESENT(xkp)) xkp => kpoint%xkp
472 IF (PRESENT(xkp)) kpoint%xkp => xkp
672 kpoint%xkp(1, i), kpoint%xkp(2, i), kpoint%xkp(3, i)
700 kp_env%xkp = 0.0_dp
782 IF (PRESENT(xkp)) xkp = kpoint_env%xkp
807 NULLIFY (kp_sym%xkp)
828 IF (ASSOCIATED(kp_sym%xkp)) THEN
[all …]
H A Dcryssym.F253 ALLOCATE (xkp(3, nkpts), wkp(nkpts))
263 CALL full_grid_gen(nk, xkp, wkp, shift)
272 CALL full_grid_gen(nk, xkp, wkp, shift)
297 CALL full_grid_gen(nk, xkp, wkp, shift)
323 csym%xkpoint(1:3, j) = xkp(1:3, ik)
379 DEALLOCATE (xkp, wkp)
392 SUBROUTINE full_grid_gen(nk, xkp, wkp, shift) argument
410 xkp(1:3, i) = kpt_latt(1:3)
416 xkp(1:3, i) = xkp(1:3, i) + shift(1:3)
427 SUBROUTINE inversion_symm(xkp, wkp, link) argument
[all …]
H A Dkpoint_methods.F136 ALLOCATE (kpoint%xkp(3, 1), kpoint%wkp(1))
137 kpoint%xkp(1:3, 1) = 0.0_dp
176 kpoint%xkp(1:3, ik) = crys_sym%xkpoint(1:3, ik)
199 ALLOCATE (kpsym%xkp(3, ns))
235 CPASSERT(SUM(ABS(kpoint%xkp)) <= 1.e-12_dp)
248 spez = (kpoint%xkp(i, ik) == 0.0_dp .OR. kpoint%xkp(i, ik) == 0.5_dp)
305 kp%xkp(1:3) = kpoint%xkp(1:3, ik)
395 kp%xkp(1:3) = kpoint%xkp(1:3, ikk)
741 arg = REAL(cell(1), dp)*xkp(1) + REAL(cell(2), dp)*xkp(2) + REAL(cell(3), dp)*xkp(3)
1046 CALL get_kpoint_info(kpoint, nkp=nkp, xkp=xkp, wkp=wkp, &
[all …]
H A Dqs_band_structure.F131 REAL(kind=dp), DIMENSION(:, :), POINTER :: kpgeneral, kspecial, xkp local
233 CALL get_kpoint_info(kpoint, nkp=nkp, kp_range=kp_range, xkp=xkp, wkp=wkp)
271 "# Point ", ik, " Spin ", ispin, ":", xkp(1:3, ik), wkp(ik)
360 ALLOCATE (kpoint%xkp(3, 1), kpoint%wkp(1))
361 kpoint%xkp(1:3, 1) = 0.0_dp
373 ALLOCATE (kpoint%xkp(3, npoints), kpoint%wkp(npoints))
385 kpoint%xkp(1:3, i) = MATMUL(TRANSPOSE(h_inv), kpt_latt(:))
401 ALLOCATE (kpoint%xkp(3, npoints), kpoint%wkp(npoints))
403 kpoint%xkp(1:3, 1:npoints) = kpgeneral(1:3, 1:npoints)
H A Dqs_scf_csr_write.F188 REAL(KIND=dp), DIMENSION(:, :), POINTER :: xkp local
217 CALL get_kpoint_info(kpoints, xkp=xkp, use_real_wfn=use_real_wfn, kp_range=kp_range, &
258 … xkp=xkp(1:3, ik), cell_to_index=cell_to_index, sab_nl=sab_nl)
268 … xkp=xkp(1:3, ik), cell_to_index=cell_to_index, sab_nl=sab_nl)
H A Drpa_gw_kpoints.F127 REAL(KIND=dp), DIMENSION(:, :), POINTER :: xkp local
217 CALL get_kpoint_info(kpoints, xkp=xkp, wkp=wkp, nkp=nkp)
271 … arg = REAL(xcell, dp)*xkp(1, ikp) + REAL(ycell, dp)*xkp(2, ikp) + REAL(zcell, dp)*xkp(3, ikp)
553 REAL(KIND=dp), DIMENSION(:, :), POINTER :: matrix_lin_eqs, xkp local
557 CALL get_kpoint_info(kpoints, xkp=xkp, wkp=wkp, nkp=nkp)
602 k_vec = MATMUL(h_inv(1:3, 1:3), xkp(1:3, ikp))
686 k_vec = MATMUL(h_inv(1:3, 1:3), xkp(1:3, ikp))
942 REAL(KIND=dp), DIMENSION(:, :), POINTER :: xkp local
947 CALL get_kpoint_info(kpoints, xkp=xkp)
959 … arg = REAL(xcell, dp)*xkp(1, ikp) + REAL(ycell, dp)*xkp(2, ikp) + REAL(zcell, dp)*xkp(3, ikp)
H A Dqs_wannier90.F182 REAL(KIND=dp), DIMENSION(:, :), POINTER :: xkp local
264 ALLOCATE (kpoint%xkp(3, num_kpts), kpoint%wkp(num_kpts))
267 kpoint%xkp(1:3, i) = (angstrom/twopi)*MATMUL(recip_lattice, kpt_latt(:, i))
516 … xkp=kpoint%xkp(1:3, ik2), cell_to_index=cell_to_index, sab_nl=sab_nl, &
519 … xkp=kpoint%xkp(1:3, ik2), cell_to_index=cell_to_index, sab_nl=sab_nl, &
582 CALL get_kpoint_info(kpoint, nkp=nkp, kp_range=kp_range, xkp=xkp)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dkpoint_types.F203 NULLIFY (kpoint%xkp, kpoint%wkp)
240 IF (ASSOCIATED(kpoint%xkp)) THEN
241 DEALLOCATE (kpoint%xkp)
366 IF (PRESENT(xkp)) xkp => kpoint%xkp
472 IF (PRESENT(xkp)) kpoint%xkp => xkp
672 kpoint%xkp(1, i), kpoint%xkp(2, i), kpoint%xkp(3, i)
700 kp_env%xkp = 0.0_dp
782 IF (PRESENT(xkp)) xkp = kpoint_env%xkp
807 NULLIFY (kp_sym%xkp)
828 IF (ASSOCIATED(kp_sym%xkp)) THEN
[all …]
H A Dcryssym.F253 ALLOCATE (xkp(3, nkpts), wkp(nkpts))
263 CALL full_grid_gen(nk, xkp, wkp, shift)
272 CALL full_grid_gen(nk, xkp, wkp, shift)
297 CALL full_grid_gen(nk, xkp, wkp, shift)
323 csym%xkpoint(1:3, j) = xkp(1:3, ik)
379 DEALLOCATE (xkp, wkp)
392 SUBROUTINE full_grid_gen(nk, xkp, wkp, shift) argument
410 xkp(1:3, i) = kpt_latt(1:3)
416 xkp(1:3, i) = xkp(1:3, i) + shift(1:3)
427 SUBROUTINE inversion_symm(xkp, wkp, link) argument
[all …]
H A Dqs_band_structure.F126 REAL(kind=dp), DIMENSION(:, :), POINTER :: kpgeneral, kspecial, xkp local
241 CALL get_kpoint_info(kpoint, nkp=nkp, kp_range=kp_range, xkp=xkp)
257 … WRITE (iw, "(T8,A,I5,T20,A,I2,T34,A,3F12.8)") "Nr.", ik, "Spin", ispin, "K-Point", xkp(1:3, ik)
341 ALLOCATE (kpoint%xkp(3, 1), kpoint%wkp(1))
342 kpoint%xkp(1:3, 1) = 0.0_dp
354 ALLOCATE (kpoint%xkp(3, npoints), kpoint%wkp(npoints))
366 kpoint%xkp(1:3, i) = MATMUL(TRANSPOSE(h_inv), kpt_latt(:))
382 ALLOCATE (kpoint%xkp(3, npoints), kpoint%wkp(npoints))
384 kpoint%xkp(1:3, 1:npoints) = kpgeneral(1:3, 1:npoints)
H A Dkpoint_methods.F136 ALLOCATE (kpoint%xkp(3, 1), kpoint%wkp(1))
137 kpoint%xkp(1:3, 1) = 0.0_dp
176 kpoint%xkp(1:3, ik) = crys_sym%xkpoint(1:3, ik)
199 ALLOCATE (kpsym%xkp(3, ns))
235 CPASSERT(SUM(ABS(kpoint%xkp)) <= 1.e-12_dp)
248 spez = (kpoint%xkp(i, ik) == 0.0_dp .OR. kpoint%xkp(i, ik) == 0.5_dp)
305 kp%xkp(1:3) = kpoint%xkp(1:3, ik)
395 kp%xkp(1:3) = kpoint%xkp(1:3, ikk)
741 arg = REAL(cell(1), dp)*xkp(1) + REAL(cell(2), dp)*xkp(2) + REAL(cell(3), dp)*xkp(3)
1046 CALL get_kpoint_info(kpoint, nkp=nkp, xkp=xkp, wkp=wkp, &
[all …]
H A Dqs_wannier90.F182 REAL(KIND=dp), DIMENSION(:, :), POINTER :: xkp local
264 ALLOCATE (kpoint%xkp(3, num_kpts), kpoint%wkp(num_kpts))
267 kpoint%xkp(1:3, i) = (angstrom/twopi)*MATMUL(recip_lattice, kpt_latt(:, i))
516 … xkp=kpoint%xkp(1:3, ik2), cell_to_index=cell_to_index, sab_nl=sab_nl, &
519 … xkp=kpoint%xkp(1:3, ik2), cell_to_index=cell_to_index, sab_nl=sab_nl, &
582 CALL get_kpoint_info(kpoint, nkp=nkp, kp_range=kp_range, xkp=xkp)
H A Drpa_gw_kpoints.F141 REAL(KIND=dp), DIMENSION(:, :), POINTER :: xkp local
231 CALL get_kpoint_info(kpoints, xkp=xkp, wkp=wkp, nkp=nkp)
285 … arg = REAL(xcell, dp)*xkp(1, ikp) + REAL(ycell, dp)*xkp(2, ikp) + REAL(zcell, dp)*xkp(3, ikp)
571 CALL get_kpoint_info(kpoints, xkp=xkp, wkp=wkp, nkp=nkp)
616 k_vec = MATMUL(h_inv(1:3, 1:3), xkp(1:3, ikp))
700 k_vec = MATMUL(h_inv(1:3, 1:3), xkp(1:3, ikp))
1517 CALL get_kpoint_info(kpoints, xkp=xkp)
1529 … arg = REAL(xcell, dp)*xkp(1, ikp) + REAL(ycell, dp)*xkp(2, ikp) + REAL(zcell, dp)*xkp(3, ikp)
2584 NULLIFY (xkp)
2585 CALL get_kpoint_info(kpoints, nkp=nkp, xkp=xkp)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/gw/Transfer/
H A Dmk2cse.f90729 xkp(:,1)=(ww-evtx(1))*xk(:,2)/(evtx(2)-evtx(1))
730 xkp(:,2)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
731 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
750 xq1=xkp(:,1)-xkp(:,3)
751 xq2=xkp(:,2)-xkp(:,3)
756 xkv0=xkp(:,3)+xkvtx
960 xkp(:,1)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
961 xkp(:,2)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
968 xq1=xkp(:,1)-xkp(:,3)
969 xq2=xkp(:,2)-xkp(:,3)
[all …]
H A Dmk3cse.f901122 xkp(:,1)=(ww-evtx(1))*xk(:,2)/(evtx(2)-evtx(1))
1123 xkp(:,2)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1124 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1138 xq1=xkp(:,1)-xkp(:,3)
1139 xq2=xkp(:,2)-xkp(:,3)
1140 xkv0=xkp(:,3)+xkvtx
1345 xkp(:,1)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1346 xkp(:,2)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1348 xq1=xkp(:,1)-xkp(:,3)
1349 xq2=xkp(:,2)-xkp(:,3)
[all …]
H A Dmkse.f901236 xkp(:,1)=(ww-evtx(1))*xk(:,2)/(evtx(2)-evtx(1))
1237 xkp(:,2)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1238 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1244 xkp(:,1)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1250 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1256 …xkvmag(kk) = xkvmag(kk) + ((xkp(ii,kk)+xkvtx(ii))/ngkpt(ii))*bmet(ii,jj)*((xkp(jj,kk)+xkvtx(jj))/n…
1261 xq1=(xkp(:,1)-xkp(:,3))/ngkpt
1262 xq2=(xkp(:,2)-xkp(:,3))/ngkpt
1263 xkv0=(xkp(:,3)+xkvtx)/ngkpt
1264 xkv1=(xkp(:,1)+xkvtx)/ngkpt
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/gw/Transfer/
H A Dmk2cse.f90729 xkp(:,1)=(ww-evtx(1))*xk(:,2)/(evtx(2)-evtx(1))
730 xkp(:,2)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
731 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
750 xq1=xkp(:,1)-xkp(:,3)
751 xq2=xkp(:,2)-xkp(:,3)
756 xkv0=xkp(:,3)+xkvtx
960 xkp(:,1)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
961 xkp(:,2)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
968 xq1=xkp(:,1)-xkp(:,3)
969 xq2=xkp(:,2)-xkp(:,3)
[all …]
H A Dmk3cse.f901122 xkp(:,1)=(ww-evtx(1))*xk(:,2)/(evtx(2)-evtx(1))
1123 xkp(:,2)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1124 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1138 xq1=xkp(:,1)-xkp(:,3)
1139 xq2=xkp(:,2)-xkp(:,3)
1140 xkv0=xkp(:,3)+xkvtx
1345 xkp(:,1)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1346 xkp(:,2)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1348 xq1=xkp(:,1)-xkp(:,3)
1349 xq2=xkp(:,2)-xkp(:,3)
[all …]
H A Dmkse.f901236 xkp(:,1)=(ww-evtx(1))*xk(:,2)/(evtx(2)-evtx(1))
1237 xkp(:,2)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1238 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1244 xkp(:,1)=(ww-evtx(1))*xk(:,3)/(evtx(3)-evtx(1))
1250 xkp(:,3)=(ww-evtx(1))*xk(:,4)/(evtx(4)-evtx(1))
1256 …xkvmag(kk) = xkvmag(kk) + ((xkp(ii,kk)+xkvtx(ii))/ngkpt(ii))*bmet(ii,jj)*((xkp(jj,kk)+xkvtx(jj))/n…
1261 xq1=(xkp(:,1)-xkp(:,3))/ngkpt
1262 xq2=(xkp(:,2)-xkp(:,3))/ngkpt
1263 xkv0=(xkp(:,3)+xkvtx)/ngkpt
1264 xkv1=(xkp(:,1)+xkvtx)/ngkpt
[all …]
/dports/cad/calculix-ccx/CalculiX/ccx_2.18/src/
H A Dliquidpipe.f178 xkp=xkn
228 xkp=xkn
409 xkp=xkn
474 xkp=xkn
505 xkp=xkn
543 xkp=xkn
606 xkp=xkn
628 xkp=xkn
649 xkp=xkn
685 xkp=xkn
[all …]
/dports/textproc/ibus/ibus-1.5.24/client/x11/
H A Dmain.c823 XEvent xkp = {0}; in _xim_forward_key_event() local
825 xkp.xkey.type = (state & IBUS_RELEASE_MASK) ? KeyRelease : KeyPress; in _xim_forward_key_event()
826 xkp.xkey.serial = 0L; in _xim_forward_key_event()
827 xkp.xkey.send_event = False; in _xim_forward_key_event()
828 xkp.xkey.same_screen = True; in _xim_forward_key_event()
830 xkp.xkey.window = in _xim_forward_key_event()
832 xkp.xkey.subwindow = None; in _xim_forward_key_event()
835 xkp.xkey.time = 0; in _xim_forward_key_event()
836 xkp.xkey.state = state; in _xim_forward_key_event()
837 xkp.xkey.keycode = (keycode == 0) ? 0 : keycode + 8; in _xim_forward_key_event()
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dexx.f90922 REAL(DP) :: x1, x2, xkp(3) local
951 xkp = xk(:,current_k)
1322 xkp = xk(:,current_k)
1853 REAL(DP) :: xkq(3), xkp(3), vc local
1888 xkp = xk(:,ikk)
2170 REAL(DP) :: xkq(3), xkp(3), vc, omega_inv local
2206 xkp = xk(:,ikk)
3439 REAL(DP) :: xkp(3), xkq(3) local
3459 xkp = xk(:,current_k)
3814 REAL(DP) :: xkp(3) local
[all …]
/dports/devel/stylua/StyLua-0.11.0/cargo-crates/plotters-0.3.1/src/coord/ranged2d/
H A Dcartesian.rs56 let (xkp, ykp) = ( in draw_mesh()
61 for logic_x in xkp { in draw_mesh()
/dports/multimedia/rav1e/rav1e-0.5.1/cargo-crates/plotters-0.3.1/src/coord/ranged2d/
H A Dcartesian.rs56 let (xkp, ykp) = ( in draw_mesh()
61 for logic_x in xkp { in draw_mesh()
/dports/net-im/libsignal-client/libsignal-client-0.9.6/cargo-crates/plotters-0.3.0/src/coord/ranged2d/
H A Dcartesian.rs56 let (xkp, ykp) = ( in draw_mesh()
61 for logic_x in xkp { in draw_mesh()

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