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Searched refs:fm_mat_S (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_laplace.F38 …SUBROUTINE calc_fm_mat_S_laplace(fm_mat_S, first_cycle, homo, virtual, Eigenval, ajquad, alpha_old) argument
39 TYPE(cp_fm_type), POINTER :: fm_mat_S local
56 CALL cp_fm_get_info(matrix=fm_mat_S, &
73 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)*laplace_transf
88 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)*laplace_transf
H A Drpa_util.F598 TYPE(cp_fm_type), POINTER :: fm_mat_S local
629 … CALL calc_fm_mat_S_laplace(fm_mat_S, first_cycle, homo, virtual, Eigenval, omega, omega_old)
640 … CALL contract_S_to_Q(mm_style, dimen_RI, dimen_ia, alpha, fm_mat_S, fm_mat_Q_gemm, para_env_RPA, &
665 TYPE(cp_fm_type), POINTER :: fm_mat_S local
683 CALL cp_fm_get_info(matrix=fm_mat_S, &
702 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)/ &
725 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)* &
745 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)* &
782 TYPE(cp_fm_type), POINTER :: fm_mat_S, fm_mat_Q_gemm local
809 matrix_a=fm_mat_S, matrix_b=fm_mat_S, beta=0.0_dp, &
[all …]
H A Dbse.F374 …SUBROUTINE mult_B_with_W_and_fill_local_3c_arrays(fm_mat_S_ij_bse, fm_mat_S_ab_bse, fm_mat_S, fm_m… argument
381 fm_mat_S, fm_mat_Q_static_bse, & local
401 CALL cp_fm_create(fm_mat_S_bar_ia_bse, fm_mat_S%matrix_struct)
402 CALL cp_fm_to_fm(fm_mat_S, fm_mat_S_bar_ia_bse)
446 matrix_a=fm_mat_S, matrix_b=fm_mat_Q_static_bse_gemm, beta=0.0_dp, &
449 …CALL allocate_and_fill_local_array(B_iaQ_bse_local, fm_mat_S, gd_array, color_sub, homo, virtual, …
479 SUBROUTINE allocate_and_fill_local_array(B_local, fm_mat_S, gd_array, & argument
483 TYPE(cp_fm_type), POINTER :: fm_mat_S local
527 CALL cp_fm_get_info(matrix=fm_mat_S, &
596 buffer_send(imepos)%msg(entry_counter(imepos)) = fm_mat_S%local_data(iiB, jjB)
H A Drpa_axk.F96 RPA_proc_map, eig, fm_mat_S, homo, virtual, omega, & argument
107 TYPE(cp_fm_type), POINTER :: fm_mat_S local
205 CALL cp_fm_create(fm_mat_Gamma_3, fm_mat_S%matrix_struct)
207 CALL cp_fm_get_info(matrix=fm_mat_S, &
228 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)* &
246 matrix_a=fm_mat_S, matrix_b=fm_mat_R_half_gemm, beta=0.0_dp, &
261 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)/ &
H A Dmp2_grids.F318 TYPE(cp_fm_type), POINTER :: fm_mat_S local
363 tj, wj, fm_mat_S, &
368 tj, wj, fm_mat_S)
402 tj_ext, wj_ext, fm_mat_S, & argument
412 TYPE(cp_fm_type), POINTER :: fm_mat_S local
550 D_ia, iaia_RI, M_ia, fm_mat_S, para_env_row) argument
559 TYPE(cp_fm_type), POINTER :: fm_mat_S local
579 CALL cp_fm_get_info(matrix=fm_mat_S, &
592 … iaia_RI_dp(iiB) = iaia_RI_dp(iiB) + fm_mat_S%local_data(iiB, jjB)*fm_mat_S%local_data(iiB, jjB)
612 color_row = fm_mat_S%matrix_struct%context%mepos(1)
[all …]
H A Drpa_main.F570 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, &
582 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, &
666 fm_mat_S, fm_mat_Q_gemm, fm_mat_Q, fm_mat_S_gw, fm_mat_R_gw, &
690 fm_mat_S, fm_mat_Q_gemm, fm_mat_Q, fm_mat_S_gw, fm_mat_R_gw, &
713 CALL cp_fm_release(fm_mat_S)
895 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, & argument
910 TYPE(cp_fm_type), POINTER :: fm_mat_S local
1045 group_grid_2_mepos, para_env_sub%num_pe, ngroup, fm_mat_S, &
1062 CALL mp_sum(fm_mat_S%local_data, para_env_exchange%group)
1256 fm_mat_S, fm_mat_Q_gemm, fm_mat_Q, fm_mat_S_gw, fm_mat_R_gw, & argument
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_laplace.F38 …SUBROUTINE calc_fm_mat_S_laplace(fm_mat_S, first_cycle, homo, virtual, Eigenval, ajquad, alpha_old) argument
39 TYPE(cp_fm_type), POINTER :: fm_mat_S local
56 CALL cp_fm_get_info(matrix=fm_mat_S, &
73 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)*laplace_transf
88 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)*laplace_transf
H A Dbse.F374 …SUBROUTINE mult_B_with_W_and_fill_local_3c_arrays(fm_mat_S_ij_bse, fm_mat_S_ab_bse, fm_mat_S, fm_m… argument
381 fm_mat_S, fm_mat_Q_static_bse, & local
401 CALL cp_fm_create(fm_mat_S_bar_ia_bse, fm_mat_S%matrix_struct)
402 CALL cp_fm_to_fm(fm_mat_S, fm_mat_S_bar_ia_bse)
446 matrix_a=fm_mat_S, matrix_b=fm_mat_Q_static_bse_gemm, beta=0.0_dp, &
449 …CALL allocate_and_fill_local_array(B_iaQ_bse_local, fm_mat_S, gd_array, color_sub, homo, virtual, …
479 SUBROUTINE allocate_and_fill_local_array(B_local, fm_mat_S, gd_array, & argument
483 TYPE(cp_fm_type), POINTER :: fm_mat_S local
527 CALL cp_fm_get_info(matrix=fm_mat_S, &
596 buffer_send(imepos)%msg(entry_counter(imepos)) = fm_mat_S%local_data(iiB, jjB)
H A Drpa_axk.F96 RPA_proc_map, eig, fm_mat_S, homo, virtual, omega, & argument
107 TYPE(cp_fm_type), POINTER :: fm_mat_S local
205 CALL cp_fm_create(fm_mat_Gamma_3, fm_mat_S%matrix_struct)
207 CALL cp_fm_get_info(matrix=fm_mat_S, &
228 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)* &
246 matrix_a=fm_mat_S, matrix_b=fm_mat_R_half_gemm, beta=0.0_dp, &
261 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)/ &
H A Drpa_util.F1036 TYPE(cp_fm_type), POINTER :: fm_mat_S local
1067 … CALL calc_fm_mat_S_laplace(fm_mat_S, first_cycle, homo, virtual, Eigenval, omega, omega_old)
1074 … CALL contract_S_to_Q(mm_style, dimen_RI, dimen_ia, alpha, fm_mat_S, fm_mat_Q_gemm, para_env_RPA, &
1099 TYPE(cp_fm_type), POINTER :: fm_mat_S local
1117 CALL cp_fm_get_info(matrix=fm_mat_S, &
1136 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)/ &
1159 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)* &
1179 fm_mat_S%local_data(iiB, jjB) = fm_mat_S%local_data(iiB, jjB)* &
1216 TYPE(cp_fm_type), POINTER :: fm_mat_S, fm_mat_Q_gemm local
1243 matrix_a=fm_mat_S, matrix_b=fm_mat_S, beta=0.0_dp, &
[all …]
H A Dmp2_weights.F305 TYPE(cp_fm_type), POINTER :: fm_mat_S local
347 tj, wj, fm_mat_S, &
352 tj, wj, fm_mat_S)
390 tj_ext, wj_ext, fm_mat_S, & argument
400 TYPE(cp_fm_type), POINTER :: fm_mat_S local
538 D_ia, iaia_RI, M_ia, fm_mat_S, para_env_row) argument
547 TYPE(cp_fm_type), POINTER :: fm_mat_S local
567 CALL cp_fm_get_info(matrix=fm_mat_S, &
580 … iaia_RI_dp(iiB) = iaia_RI_dp(iiB) + fm_mat_S%local_data(iiB, jjB)*fm_mat_S%local_data(iiB, jjB)
600 color_row = fm_mat_S%matrix_struct%context%mepos(1)
[all …]
H A Drpa_main.F255 fm_mat_R_gw, fm_mat_S, fm_mat_S_ab_bse, fm_mat_S_beta, fm_mat_S_gw, fm_mat_S_gw_beta, & local
571 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, &
584 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, &
670 fm_mat_S, fm_mat_Q_gemm, fm_mat_Q, fm_mat_S_gw, fm_mat_R_gw, &
694 fm_mat_S, fm_mat_Q_gemm, fm_mat_Q, fm_mat_S_gw, fm_mat_R_gw, &
717 CALL cp_fm_release(fm_mat_S)
903 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, & argument
918 TYPE(cp_fm_type), POINTER :: fm_mat_S local
1061 group_grid_2_mepos, para_env_sub%num_pe, ngroup, fm_mat_S, &
1078 CALL mp_sum(fm_mat_S%local_data, para_env_exchange%group)
[all …]