/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | rpa_util.F | 404 DO i_mem = 1, cut_memory 408 DO i_mem = 1, cut_memory 412 DO i_mem = 1, cut_memory 416 DO i_mem = 1, cut_memory 420 DO i_mem = 1, cut_memory 426 DO j_mem = 1, cut_memory 447 ALLOCATE (offset_combi_block(cut_memory, cut_memory)) 532 ALLOCATE (cycle_due_to_sparse_dm(cut_memory, cut_memory, num_integ_points)) 644 DO i_mem = 1, cut_memory 1528 DO i_mem = 1, cut_memory [all …]
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H A D | rpa_im_time.F | 2476 ALLOCATE (cycle_due_to_sparse_dm_occ_tmp(cut_memory, cut_memory, num_integ_points)) 2477 ALLOCATE (cycle_due_to_sparse_dm_virt_tmp(cut_memory, cut_memory, num_integ_points)) 2485 DO i_mem = 1, cut_memory 2528 DO i_mem = 1, cut_memory 2529 DO j_mem = 1, cut_memory 2542 ALLOCATE (cycle_combined(cut_memory, cut_memory, num_integ_points)) 2548 DO i_mem = 1, cut_memory 2549 DO j_mem = 1, cut_memory 2605 DO i_mem = 1, cut_memory 2624 DO i_mem = 1, cut_memory [all …]
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H A D | mp2_gpw.F | 1676 cut_memory = mp2_env%ri_rpa_im_time%cut_memory 1683 ALLOCATE (mp2_env%ri_rpa_im_time%ends_array_cm(cut_memory)) 1701 ngroup = cut_memory 1776 DO i_mem = 1, cut_memory 1839 DO j_mem = 1, cut_memory 1904 DO i_mem = 1, cut_memory 1919 DO j_mem = 1, cut_memory 1934 ALLOCATE (col_blk_sizes_cut_memory(cut_memory, cut_memory)) 1937 ALLOCATE (mp2_env%ri_rpa_im_time_2d_util(cut_memory, cut_memory)) 1939 DO i_mem = 1, cut_memory [all …]
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H A D | mp2_integrals.F | 765 cut_memory = qs_env%mp2_env%ri_rpa_im_time%cut_memory 774 dimen_RI, ngroup_im_time, cut_memory, & 847 cut_memory, & 3358 dimen_RI, ngroup, cut_memory, cut_RI, color_sub, qs_env) argument 3363 INTEGER, INTENT(IN) :: dimen_RI, ngroup, cut_memory local 3386 CALL create_group_dist(gd_array_mem_cut, cut_memory, dimen_RI) 3388 ALLOCATE (my_group_L_starts_im_time(1:cut_memory)) 3390 ALLOCATE (my_group_L_ends_im_time(1:cut_memory)) 3393 DO icut = 0, cut_memory - 1 3436 cut_RI = cut_memory [all …]
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H A D | rpa_main.F | 1451 INTEGER :: count_ev_sc_GW, cut_memory, cut_RI, group_size_P, gw_corr_lev_tot, handle, & local 1580 cut_memory = mp2_env%ri_rpa_im_time%cut_memory 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, & 1812 "MEMORY_INFO| Memory cut:", cut_memory 1843 group_size_P, num_integ_points, cut_memory, cut_RI, & 1878 group_size_P, num_integ_points, cut_memory, cut_RI, & 1907 group_size_P, num_integ_points, cut_memory, cut_RI, &
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H A D | mp2_types.F | 136 INTEGER :: cut_memory component
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H A D | mp2_setup.F | 294 i_val=mp2_env%ri_rpa_im_time%cut_memory)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_integrals.F | 237 INTEGER :: cm, cut_memory, cut_memory_int, eri_method, gw_corr_lev_total, handle, handle2, & local 795 cut_memory_int = qs_env%mp2_env%ri_rpa_im_time%cut_memory 854 ASSOCIATE (cut_memory=>qs_env%mp2_env%ri_rpa_im_time%cut_memory) 855 CALL create_tensor_batches(sizes_AO_split, cut_memory, starts_array_mc, ends_array_mc, & 858 cut_memory = qs_env%mp2_env%ri_rpa_im_time%cut_memory
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H A D | rpa_main.F | 1320 INTEGER :: count_ev_sc_GW, cut_memory, group_size_P, gw_corr_lev_tot, handle, handle3, & local 1437 cut_memory = mp2_env%ri_rpa_im_time%cut_memory 1448 do_ri_sos_laplace_mp2, cut_memory, nkp, num_cells_dm, num_3c_repl, & 1650 "MEMORY_INFO| Memory cut:", cut_memory 1681 num_integ_points, cut_memory, & 1704 num_integ_points, cut_memory, & 1721 num_integ_points, cut_memory, &
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H A D | rpa_util.F | 135 do_ri_sos_laplace_mp2, cut_memory, nkp, num_cells_dm, num_3c_repl, & argument 162 INTEGER, INTENT(IN) :: cut_memory local 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 | 124 num_integ_points, cut_memory, unit_nr, & argument 150 INTEGER, INTENT(IN) :: cut_memory, unit_nr local 340 DO j_mem = 1, cut_memory 351 DO i_mem = 1, cut_memory 490 … filter_eps=eps_filter_im_time/REAL(cut_memory**2, KIND=dp), &
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H A D | mp2_types.F | 110 INTEGER :: cut_memory component
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H A D | mp2_setup.F | 186 …LL section_vals_val_get(low_scaling_section, "MEMORY_CUT", i_val=mp2_env%ri_rpa_im_time%cut_memory)
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