/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | rpa_kpoints.F | 116 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 …]
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H A D | rpa_util.F | 136 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 …]
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H A D | rpa_gw_kpoints.F | 93 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
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H A D | rpa_main.F | 1326 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)
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H A D | rpa_gw.F | 711 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
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | rpa_kpoints.F | 116 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 …]
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H A D | rpa_util.F | 754 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 …]
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H A D | rpa_main.F | 1456 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)
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H A D | rpa_gw_kpoints.F | 107 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
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H A D | rpa_gw.F | 914 … 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
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/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | Wavefunction.cpp | 145 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()
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H A D | BisectionCmd.h | 109 const int ikp_loc = wf.ikp_local(0); in action()
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H A D | WavefunctionHandler.cpp | 313 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()
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H A D | ComputeMLWFCmd.cpp | 52 const int ikp_loc = wf.ikp_local(ikp); in action()
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H A D | Wavefunction.h | 82 int ikp_local(int ikpg) const; // local index of global kpoint ikp
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H A D | BOSampleStepper.cpp | 306 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()
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H A D | SpectrumCmd.cpp | 123 const int ikp_loc = wf.ikp_local(ikp); in action()
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