/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_laplace.F | 38 …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
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H A D | rpa_util.F | 598 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 …]
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H A D | bse.F | 374 …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)
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H A D | rpa_axk.F | 96 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)/ &
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H A D | mp2_grids.F | 318 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 …]
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H A D | rpa_main.F | 570 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_laplace.F | 38 …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
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H A D | bse.F | 374 …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)
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H A D | rpa_axk.F | 96 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)/ &
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H A D | rpa_util.F | 1036 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 …]
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H A D | mp2_weights.F | 305 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 …]
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H A D | rpa_main.F | 255 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 …]
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