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Searched refs:fm_matrix_L_RI_metric (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_ri_2c.F150 fm_matrix_L_RI_metric, & argument
226 ALLOCATE (fm_matrix_L_RI_metric(1, 1))
266 0.0_dp, fm_matrix_L_RI_metric(1, 1)%matrix)
270 0.0_dp, fm_matrix_L_RI_metric(1, 1)%matrix)
279 CALL cp_fm_to_fm(fm_matrix_L_RI_metric(1, 1)%matrix, fm_matrix_L)
280 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
281 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
282 CALL cp_fm_release(fm_matrix_L_RI_metric(i_size, j_size)%matrix)
285 DEALLOCATE (fm_matrix_L_RI_metric)
580 ALLOCATE (fm_matrix_L_RI_metric(nkp, n_real_imag))
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H A Drpa_util.F133 fm_matrix_L_RI_metric, mat_P_global, & argument
154 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
444 ALLOCATE (fm_mat_L(SIZE(fm_matrix_L_RI_metric, 1), SIZE(fm_matrix_L_RI_metric, 2)))
445 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
446 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
483 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
484 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
501 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
502 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
503 CALL cp_fm_release(fm_matrix_L_RI_metric(i_size, j_size)%matrix)
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H A Dmp2_gpw.F166 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
405 atomic_kind_set, qs_kind_set, mo_coeff, fm_matrix_L_RI_metric, nmo, homo, &
423 … atomic_kind_set, qs_kind_set, mo_coeff, fm_matrix_L_RI_metric, nmo, homo, &
555 mo_coeff, fm_matrix_L_RI_metric, kpoints, &
575 mo_coeff, fm_matrix_L_RI_metric, kpoints, &
H A Drpa_main.F154 mo_coeff, fm_matrix_L_RI_metric, kpoints, & argument
177 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
670 … do_im_time, fm_mo_coeff_occ, fm_mo_coeff_virt, mo_coeff, fm_matrix_L_RI_metric, &
694 … do_im_time, fm_mo_coeff_occ, fm_mo_coeff_virt, mo_coeff, fm_matrix_L_RI_metric, &
1260 fm_mo_coeff_virt, mo_coeff, fm_matrix_L_RI_metric, & argument
1290 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
1446 fm_matrix_L_RI_metric, mat_P_global, &
H A Dmp2_integrals.F175 fm_matrix_L_RI_metric, nmo, homo, & argument
202 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
432 fm_matrix_L_RI_metric, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_ri_2c.F151 fm_matrix_L_RI_metric, & argument
228 ALLOCATE (fm_matrix_L_RI_metric(1, 1))
268 0.0_dp, fm_matrix_L_RI_metric(1, 1)%matrix)
272 0.0_dp, fm_matrix_L_RI_metric(1, 1)%matrix)
281 CALL cp_fm_to_fm(fm_matrix_L_RI_metric(1, 1)%matrix, fm_matrix_L)
282 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
283 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
284 CALL cp_fm_release(fm_matrix_L_RI_metric(i_size, j_size)%matrix)
287 DEALLOCATE (fm_matrix_L_RI_metric)
582 ALLOCATE (fm_matrix_L_RI_metric(nkp, n_real_imag))
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H A Drpa_util.F209 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
527 CALL cp_fm_to_fm(fm_matrix_L_RI_metric(1, 1)%matrix, fm_mat_RI_global_work)
783 ALLOCATE (fm_mat_L(SIZE(fm_matrix_L_RI_metric, 1), SIZE(fm_matrix_L_RI_metric, 2)))
784 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
785 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
822 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
823 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
840 DO i_size = 1, SIZE(fm_matrix_L_RI_metric, 1)
841 DO j_size = 1, SIZE(fm_matrix_L_RI_metric, 2)
842 CALL cp_fm_release(fm_matrix_L_RI_metric(i_size, j_size)%matrix)
[all …]
H A Drpa_main.F174 mo_coeff, fm_matrix_L_RI_metric, kpoints, & argument
199 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
674 … do_im_time, do_mao, fm_mo_coeff_occ, fm_mo_coeff_virt, mo_coeff, fm_matrix_L_RI_metric, &
698 … do_im_time, do_mao, fm_mo_coeff_occ, fm_mo_coeff_virt, mo_coeff, fm_matrix_L_RI_metric, &
1385 fm_mo_coeff_virt, mo_coeff, fm_matrix_L_RI_metric, & argument
1416 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
1587 … fm_matrix_L_RI_metric, mat_munu, mat_dm_occ_local, mat_dm_virt_local, mat_P_global, mat_M, &
H A Dmp2_gpw.F183 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
451 atomic_kind_set, qs_kind_set, mo_coeff, fm_matrix_L_RI_metric, nmo, homo, &
469 … atomic_kind_set, qs_kind_set, mo_coeff, fm_matrix_L_RI_metric, nmo, homo, &
637 mo_coeff, fm_matrix_L_RI_metric, kpoints, &
658 mo_coeff, fm_matrix_L_RI_metric, kpoints, &
H A Dmp2_integrals.F207 fm_matrix_L_RI_metric, nmo, homo, & argument
234 TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: fm_matrix_L_RI_metric local
467 fm_matrix_L_RI_metric, &