Home
last modified time | relevance | path

Searched refs:ikp_local (Results 1 – 17 of 17) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_kpoints.F116 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
137 nkp, ikp_local)
152 IF (ikp_local(ikp) .NE. ikp) CYCLE
160 dimen_RI, ikp, nkp, ikp_local, para_env)
240 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
305 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
317 IF (SUM(ikp_local) > nkp) THEN
338 IF (ANY(ikp_local(:) == jkp)) THEN
352 IF (ANY(ikp_local(:) == jkp)) THEN
558 nkp, ikp_local) argument
[all …]
H A Drpa_util.F136 size_P, ikp_local, & argument
164 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(OUT) :: ikp_local local
415 INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL :: ikp_local local
430 IF (PRESENT(ikp_local) .AND. PRESENT(fm_struct_sub_kp)) THEN
448 IF (ANY(ikp_local(:) == i_size)) THEN
486 IF (ANY(ikp_local(:) == i_size)) THEN
973 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(OUT) :: ikp_local local
1010 ALLOCATE (ikp_local(nkp))
1011 ikp_local = 0
1015 ikp_local(ikp) = ikp
[all …]
H A Drpa_gw_kpoints.F93 ikp, tj, tau_tj, weights_cos_tf_w_to_t, ikp_local, & argument
103 INTEGER, DIMENSION(:) :: ikp_local local
313 IF (SUM(ikp_local) > nkp) THEN
335 IF (ANY(ikp_local(:) == jkp)) THEN
366 IF (SUM(ikp_local) > nkp) THEN
371 IF (ANY(ikp_local(:) == jkp)) THEN
H A Drpa_main.F1326 INTEGER, ALLOCATABLE, DIMENSION(:) :: ikp_local, map_rec_size, map_rec_size_axk, & local
1449 size_P, ikp_local, &
1817 … cfm_mat_Q, ikp_local, mat_P_omega, mat_P_omega_kp, qs_env, eps_filter_im_time, &
2022 … fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, ikp_local, index_to_cell_3c, &
2034 … fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, ikp_local, index_to_cell_3c, &
2052 ikp_local, cfm_mat_W_kp_tau, &
2061 ikp_local, cfm_mat_W_kp_tau)
H A Drpa_gw.F711 ikp_local, cfm_mat_W_kp_tau, & argument
725 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(IN) :: ikp_local local
760 IF (.NOT. (ANY(ikp_local(:) == ikp))) CYCLE
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_kpoints.F116 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
137 nkp, ikp_local)
152 IF (ikp_local(ikp) .NE. ikp) CYCLE
160 dimen_RI, ikp, nkp, ikp_local, para_env)
240 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
305 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
317 IF (SUM(ikp_local) > nkp) THEN
338 IF (ANY(ikp_local(:) == jkp)) THEN
352 IF (ANY(ikp_local(:) == jkp)) THEN
558 nkp, ikp_local) argument
[all …]
H A Drpa_util.F754 INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL :: ikp_local local
769 IF (PRESENT(ikp_local) .AND. PRESENT(fm_struct_sub_kp)) THEN
787 IF (ANY(ikp_local(:) == i_size)) THEN
825 IF (ANY(ikp_local(:) == i_size)) THEN
1711 ikp_local, first_ikp_local, do_kpoints_cubic_RPA) argument
1715 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(OUT) :: ikp_local local
1752 ALLOCATE (ikp_local(nkp))
1753 ikp_local = 0
1757 ikp_local(ikp) = ikp
1840 INTEGER, DIMENSION(:), INTENT(IN) :: ikp_local local
[all …]
H A Drpa_main.F1456 INTEGER, ALLOCATABLE, DIMENSION(:) :: ikp_local, map_rec_size, map_rec_size_axk, & local
1591 size_P, n_group_col, n_group_row, ikp_local, mepos_P_from_RI_row, &
2011 … cfm_mat_Q, ikp_local, mat_P_omega, mat_P_omega_kp, qs_env, eps_filter_im_time, &
2235 … fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, ikp_local, row_from_LLL, index_to_cell_3c, &
2249 … fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, ikp_local, row_from_LLL, index_to_cell_3c, &
2271 ikp_local, cfm_mat_W_kp_tau, &
2285 ikp_local, cfm_mat_W_kp_tau)
H A Drpa_gw_kpoints.F107 ikp, tj, tau_tj, weights_cos_tf_w_to_t, ikp_local, & argument
117 INTEGER, DIMENSION(:) :: ikp_local local
327 IF (SUM(ikp_local) > nkp) THEN
349 IF (ANY(ikp_local(:) == jkp)) THEN
380 IF (SUM(ikp_local) > nkp) THEN
385 IF (ANY(ikp_local(:) == jkp)) THEN
H A Drpa_gw.F914 … mat_contr_gf_occ, mat_contr_gf_virt, mat_contr_W, ikp_local, cfm_mat_W_kp_tau, & argument
938 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(IN) :: ikp_local local
1008 IF (.NOT. (ANY(ikp_local(:) == ikp))) CYCLE
/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DWavefunction.cpp145 int Wavefunction::ikp_local(int ikpg) const in ikp_local() function in Wavefunction
430 const int ikp_loc = ikp_local(ikp_new); in add_kpoint()
536 const int ikp_loc = ikp_local(ikp); in move_kpoint()
756 const int ikp_loc = ikp_local(ikp); in update_occ()
963 const int ikp_loc = ikp_local(ikp); in print()
1042 const int ikp_loc = ikp_local(ikp); in write()
1121 const int ikp_loc = ikp_local(ikp); in info()
H A DBisectionCmd.h109 const int ikp_loc = wf.ikp_local(0); in action()
H A DWavefunctionHandler.cpp313 int ikp_loc = wf_.ikp_local(current_ikp); in startElement()
383 int ikp_loc = wf_.ikp_local(current_ikp); in endElement()
408 int ikp_loc = wf_.ikp_local(ikp); in endElement()
H A DComputeMLWFCmd.cpp52 const int ikp_loc = wf.ikp_local(ikp); in action()
H A DWavefunction.h82 int ikp_local(int ikpg) const; // local index of global kpoint ikp
H A DBOSampleStepper.cpp306 const int ikp_loc = wf.ikp_local(ikp); in step()
986 const int ikp_loc = wf.ikp_local(ikp); in step()
1114 const int ikp_loc = wf.ikp_local(ikp); in step()
1136 const int ikp_loc = wf.ikp_local(ikp); in step()
H A DSpectrumCmd.cpp123 const int ikp_loc = wf.ikp_local(ikp); in action()