| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rpa_axk.F | 99 local_size_source_axk, mp2_env, mat_munu, unit_nr, e_axk_corr) argument
116 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
388 SUBROUTINE integrate_exchange(qs_env, dbcsr_Gamma_munu_P, mat_munu, para_env_sub, P_stack_size, & argument
393 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| H A D | mp2_ri_grad.F | 139 … my_group_L_start, my_group_L_end, my_group_L_size, sab_orb_sub, mat_munu, & argument
155 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
1014 SUBROUTINE G_P_transform_MO_to_AO(G_P_munu, G_P_munu_nosym, mat_munu, G_P_ia, G_P_inu, & argument
1017 TYPE(dbcsr_p_type), INTENT(INOUT) :: G_P_munu, G_P_munu_nosym, mat_munu local
1109 SUBROUTINE update_lagrangian(mat_munu, matrix_P_inu, Lag_mu_i_1, & argument
1113 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
1156 SUBROUTINE update_lagrangian_alpha_beta(mat_munu, matrix_P_inu, Lag_mu_i_1, & argument
1159 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| H A D | mp2_gpw.F | 170 TYPE(dbcsr_p_type) :: mat_munu, mat_P_global local
761 …UTINE replicate_mat_to_subgroup(mp2_env, para_env, para_env_sub, mo_coeff, dimen, homo, mat_munu, & argument
768 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
976 mat_munu, gd_array, proc_map) argument
983 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
1086 … SUBROUTINE create_mat_munu(mat_munu, qs_env, mp2_env, dft_control, atomic_kind_set, qs_kind_set, & argument
1091 TYPE(dbcsr_p_type), INTENT(OUT) :: mat_munu local
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| H A D | mp2_eri_gpw.F | 101 … pw_env_sub, external_vector, poisson_env, rho_r, pot_g, ri_metric, omega_metric, mat_munu, & argument
117 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
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| H A D | mp2_integrals.F | 176 mat_munu, & argument
204 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
1272 …SUBROUTINE ao_to_mo_and_store_B(para_env, mat_munu, matrix_ia_jnu, matrix_ia_jb, fm_BIb_jb, BIb_jb… argument
1277 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| H A D | mp2_gpw_method.F | 108 mat_munu, sab_orb_sub, mo_coeff_o, mo_coeff_v, eps_filter, unit_nr, & argument
123 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
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| H A D | rpa_main.F | 157 mat_munu, & argument
186 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
1261 fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, mat_munu, & argument
1293 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rpa_axk.F | 99 local_size_source_axk, mp2_env, mat_munu, unit_nr, e_axk_corr) argument
116 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
388 SUBROUTINE integrate_exchange(qs_env, dbcsr_Gamma_munu_P, mat_munu, para_env_sub, P_stack_size, & argument
393 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| H A D | mp2_ri_grad.F | 138 … my_group_L_start, my_group_L_end, my_group_L_size, sab_orb_sub, mat_munu, & argument
154 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
1007 SUBROUTINE G_P_transform_MO_to_AO(G_P_munu, G_P_munu_nosym, mat_munu, G_P_ia, G_P_inu, & argument
1010 TYPE(dbcsr_p_type), INTENT(INOUT) :: G_P_munu, G_P_munu_nosym, mat_munu local
1102 SUBROUTINE update_lagrangian(mat_munu, matrix_P_inu, Lag_mu_i_1, & argument
1106 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
1149 SUBROUTINE update_lagrangian_alpha_beta(mat_munu, matrix_P_inu, Lag_mu_i_1, & argument
1152 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| H A D | mp2_gpw.F | 190 mat_dm_virt_local, mat_M, mat_munu, mat_munu_mao_occ_virt, mat_munu_mao_virt_occ, & local
860 …UTINE replicate_mat_to_subgroup(mp2_env, para_env, para_env_sub, mo_coeff, dimen, homo, mat_munu, & argument
867 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
1075 mat_munu, gd_array, proc_map) argument
1082 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
1192 TYPE(dbcsr_p_type), INTENT(OUT) :: mat_munu local
1584 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu, mat_P_local, mat_P_global, & local
2128 … mat_dm_virt_global_mao, mat_munu, do_mao, qs_env, mp2_env, & argument
2137 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
2553 SUBROUTINE clean_up_im_time(mat_munu, mat_P_local, mat_P_global, mat_M, mat_dm_occ_global_mao, & argument
[all …]
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| H A D | mp2_eri_gpw.F | 100 … pw_env_sub, external_vector, poisson_env, rho_r, pot_g, ri_metric, omega_metric, mat_munu, & argument
116 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
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| H A D | mp2_integrals.F | 208 mat_munu, mat_munu_mao_occ_virt, mat_munu_mao_virt_occ, & argument
236 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu, mat_munu_mao_occ_virt, & local
1411 …SUBROUTINE ao_to_mo_and_store_B(para_env, mat_munu, matrix_ia_jnu, matrix_ia_jb, fm_BIb_jb, BIb_jb… argument
1416 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
1812 … mat_3c_overl_int_mao_for_virt, mat_munu, mat_munu_mao_occ_virt, & argument
1821 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu, mat_munu_mao_occ_virt local
2524 SUBROUTINE reserve_blocks_3c(mat_3c_overl_int, mat_munu, qs_env, dimen_RI, & argument
2530 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu local
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| H A D | mp2_gpw_method.F | 108 mat_munu, sab_orb_sub, mo_coeff_o, mo_coeff_v, eps_filter, unit_nr, & argument
123 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_munu local
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| H A D | rpa_main.F | 178 mat_munu, mat_dm_occ_local, mat_dm_virt_local, & argument
209 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu, mat_dm_occ_local, & local
1386 fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, mat_munu, mat_dm_occ_local, & argument
1419 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu, mat_dm_occ_local, & local
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| H A D | rpa_util.F | 182 … fm_matrix_L_RI_metric, mat_munu, mat_dm_occ_local, mat_dm_virt_local, mat_P_global, mat_M, & argument
210 TYPE(dbcsr_p_type), INTENT(IN) :: mat_munu, mat_dm_occ_local, & local
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| H A D | rpa_im_time.F | 2064 SUBROUTINE print_occupation_2c(mat_munu, unit_nr, matrix_name, para_env, one_number) argument
2065 TYPE(dbcsr_type), POINTER :: mat_munu local
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