| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rpa_util.F | 197 … fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, mat_M_P_munu_virt, mat_P_global_copy, & argument
256 TYPE(dbcsr_p_type), INTENT(OUT) :: mat_dm, mat_L, mat_M_P_munu_occ, & local
355 …CALL allocate_mat_M_P_munu(mat_M_P_munu_occ, mat_M, mat_M_mu_Pnu_occ, cut_RI, mat_3c_overl_int_mao…
487 CALL dbcsr_get_info(mat_M_P_munu_occ%matrix, row_blk_size=row_blk_size, &
500 CALL dbcsr_get_info(mat_M_P_munu_occ%matrix, &
1829 …fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, mat_M_P_munu_vir… argument
1866 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_dm, mat_L, mat_M_P_munu_occ, & local
1929 CALL dbcsr_release(mat_M_P_munu_occ%matrix)
1930 DEALLOCATE (mat_M_P_munu_occ%matrix)
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| H A D | rpa_main.F | 1498 TYPE(dbcsr_p_type) :: mat_dm, mat_L, mat_M_P_munu_occ, & local
1602 … fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, mat_M_P_munu_virt, mat_P_global_copy, &
1836 mat_M_P_munu_occ, mat_M_P_munu_virt, mat_3c_overl_int_cut, &
1871 … mat_M_P_munu_occ, mat_M_P_munu_virt, mat_3c_overl_int_cut, &
1900 … mat_M_P_munu_occ, mat_M_P_munu_virt, mat_3c_overl_int_cut, &
2240 … fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, &
2254 … fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, &
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| H A D | rpa_im_time.F | 686 mao_coeff_virt, ispin, mat_M_P_munu_occ, & argument
716 TYPE(dbcsr_p_type) :: mat_M_P_munu_occ, mat_M_P_munu_virt local
954 … CALL fill_mat_M_P_munu_from_M_mu_Pnu(mat_M_P_munu_occ, mat_M_mu_Pnu_occ, para_env, &
981 … CALL print_occupation_2c(mat_M_P_munu_occ%matrix, unit_nr, "M occ after comm", para_env)
992 … CALL dbcsr_multiply("N", "T", 1.0_dp, mat_M_P_munu_occ%matrix, mat_M_P_munu_virt%matrix, &
1003 CALL dbcsr_set(mat_M_P_munu_occ%matrix, 0.0_dp)
1004 CALL dbcsr_filter(mat_M_P_munu_occ%matrix, 1.0_dp)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rpa_util.F | 144 … fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, mat_M_P_munu_virt, mat_P_global_copy, & argument
180 TYPE(dbcsr_p_type), INTENT(OUT) :: mat_dm, mat_L, mat_M_P_munu_occ, & local
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| H A D | rpa_main.F | 1357 TYPE(dbcsr_p_type) :: mat_dm, mat_L, mat_M_P_munu_occ, & local
1457 … fm_mo_coeff_virt_scaled, mat_dm, mat_L, mat_M_P_munu_occ, mat_M_P_munu_virt, mat_P_global_copy, &
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