Searched refs:L_full_matrix (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mp2_ri_libint.F | 459 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: L_block, L_full_matrix, max_contraction local
527 ALLOCATE (L_full_matrix(RI_dimen, RI_dimen))
528 L_full_matrix = 0.0_dp
666 L_full_matrix(L_B_i_start:L_B_i_end, L_B_k_start:L_B_k_end) = L_block
667 L_full_matrix(L_B_k_start:L_B_k_end, L_B_i_start:L_B_i_end) = TRANSPOSE(L_block)
678 CALL mp_sum(L_full_matrix, para_env%group)
692 CALL cp_fm_set_submatrix(fm=fm_matrix_L, new_values=L_full_matrix, start_row=1, start_col=1, &
703 L_full_matrix = 0.0_dp
704 CALL cp_fm_get_submatrix(fm_matrix_L, L_full_matrix, 1, 1, RI_dimen, RI_dimen, .FALSE.)
709 L_full_matrix(iiB + 1:RI_dimen, iiB) = 0.0_dp
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mp2_ri_libint.F | 459 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: L_block, L_full_matrix, max_contraction local
527 ALLOCATE (L_full_matrix(RI_dimen, RI_dimen))
528 L_full_matrix = 0.0_dp
666 L_full_matrix(L_B_i_start:L_B_i_end, L_B_k_start:L_B_k_end) = L_block
667 L_full_matrix(L_B_k_start:L_B_k_end, L_B_i_start:L_B_i_end) = TRANSPOSE(L_block)
678 CALL mp_sum(L_full_matrix, para_env%group)
692 CALL cp_fm_set_submatrix(fm=fm_matrix_L, new_values=L_full_matrix, start_row=1, start_col=1, &
703 L_full_matrix = 0.0_dp
704 CALL cp_fm_get_submatrix(fm_matrix_L, L_full_matrix, 1, 1, RI_dimen, RI_dimen, .FALSE.)
709 L_full_matrix(iiB + 1:RI_dimen, iiB) = 0.0_dp
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