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Searched refs:num_3c_repl (Results 1 – 7 of 7) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_gw_kpoints.F1956 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 …]
H A Drpa_util.F283 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 …]
H A Drpa_im_time.F205 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 …]
H A Drpa_main.F1453 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, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_util.F135 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))
H A Drpa_im_time.F167 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
H A Drpa_main.F1322 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, &