/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_ri_2c.F | 150 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)) [all …]
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H A D | rpa_util.F | 133 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) [all …]
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H A D | mp2_gpw.F | 166 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, &
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H A D | rpa_main.F | 154 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, &
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H A D | mp2_integrals.F | 175 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, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_ri_2c.F | 151 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)) [all …]
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H A D | rpa_util.F | 209 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 …]
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H A D | rpa_main.F | 174 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, &
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H A D | mp2_gpw.F | 183 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, &
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H A D | mp2_integrals.F | 207 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, &
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