Searched refs:num_3c_repl (Results 1 – 7 of 7) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | rpa_gw_kpoints.F | 1956 DO i_cell = 1, num_3c_repl 2016 DO i_cell = 1, num_3c_repl 2024 DO i_cell = 1, num_3c_repl 2032 DO i_cell = 1, num_3c_repl 2040 DO i_cell = 1, num_3c_repl 2052 ALLOCATE (has_3c_blocks_re(gw_corr_lev_tot, num_3c_repl, num_3c_repl)) 2054 ALLOCATE (has_3c_blocks_im(gw_corr_lev_tot, num_3c_repl, num_3c_repl)) 2468 DO i_cell = 1, num_3c_repl 2469 DO j_cell = 1, num_3c_repl 2498 DO i_cell = 1, num_3c_repl [all …]
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H A D | rpa_util.F | 283 num_3c_repl = SIZE(mat_3c_overl_int, 3) 285 num_3c_repl = SIZE(t_3c_O, 2) 292 DO i_cell = 1, num_3c_repl 293 DO j_cell = 1, num_3c_repl 542 … ALLOCATE (has_mat_P_blocks(num_cells_dm/2 + 1, cut_memory, cut_memory, num_3c_repl, num_3c_repl)) 973 num_3c_repl) 977 num_3c_repl) 1532 DO i_cell = 1, num_3c_repl 1534 DO j_cell = 1, num_3c_repl 1584 DO i_cell = 1, num_3c_repl [all …]
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H A D | rpa_im_time.F | 205 num_3c_repl = MAXVAL(cell_to_index_3c) 347 DO i_cell_R_1 = 1, num_3c_repl 349 DO i_cell_R_2 = 1, num_3c_repl 855 DO i_cell_R_1 = 1, num_3c_repl 857 DO i_cell_R_2 = 1, num_3c_repl 934 IF (i_cell_R_1 == num_3c_repl .AND. i_cell_R_2 == num_3c_repl) THEN 3458 … CALL dbcsr_allocate_matrix_set(mat_3c_overl_int_cut, cut_RI, cut_memory, num_3c_repl, num_3c_repl) 3462 DO i_cell = 1, num_3c_repl 3463 DO j_cell = 1, num_3c_repl 3523 DO i_cell = 1, num_3c_repl [all …]
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H A D | rpa_main.F | 1453 n_group_row, nkp, nkp_self_energy, nmo, num_3c_repl, num_cells_dm, num_fit_points, & local 1590 … do_ri_sos_laplace_mp2, cut_RI, cut_memory, nkp, num_cells_dm, num_3c_repl, & 1657 cut_memory, num_3c_repl, my_group_L_sizes_im_time, & 1857 has_mat_P_blocks, num_3c_repl, do_ri_sos_laplace_mp2) 1892 has_mat_P_blocks, num_3c_repl, do_ri_sos_laplace_mp2) 1921 has_mat_P_blocks, num_3c_repl, do_ri_sos_laplace_mp2) 2083 … num_cells_dm, kpoints, unit_nr, gw_corr_lev_tot, num_3c_repl, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | rpa_util.F | 135 do_ri_sos_laplace_mp2, cut_memory, nkp, num_cells_dm, num_3c_repl, & argument 163 INTEGER, INTENT(OUT) :: nkp, num_cells_dm, num_3c_repl, size_P local 197 num_3c_repl = SIZE(t_3c_O, 2) 286 … ALLOCATE (has_mat_P_blocks(num_cells_dm/2 + 1, cut_memory, cut_memory, num_3c_repl, num_3c_repl))
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H A D | rpa_im_time.F | 167 iquad, j, j_mem, jquad, num_3c_repl, num_cells_dm, unit_nr_2, unit_nr_dbcsr local 212 num_3c_repl = MAXVAL(cell_to_index_3c) 363 DO i_cell_R_1 = 1, num_3c_repl 365 DO i_cell_R_2 = 1, num_3c_repl
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H A D | rpa_main.F | 1322 nkp_self_energy, nmo, num_3c_repl, num_cells_dm, num_fit_points, num_points_corr, & local 1448 do_ri_sos_laplace_mp2, cut_memory, nkp, num_cells_dm, num_3c_repl, &
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