/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_grids.F | 97 INTENT(OUT), OPTIONAL :: weights_cos_tf_t_to_w, & local 249 ALLOCATE (weights_cos_tf_t_to_w(num_integ_points, num_integ_points)) 250 weights_cos_tf_t_to_w = 0.0_dp 252 CALL get_l_sq_wghts_cos_tf_t_to_w(num_integ_points, tau_tj, weights_cos_tf_t_to_w, tj, & 775 INTENT(INOUT) :: weights_cos_tf_t_to_w local 876 weights_cos_tf_t_to_w(jquad, :) = tau_wj_work(:) 1204 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: weights_cos_tf_t_to_w local 1216 ALLOCATE (weights_cos_tf_t_to_w(num_integ_points, num_integ_points)) 1217 weights_cos_tf_t_to_w = 0.0_dp 1247 weights_cos_tf_t_to_w, tj, 1.0_dp, Rc, max_error, 200) [all …]
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H A D | rpa_main.F | 1346 vec_Sigma_x_gw_beta, weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, weights_sin_tf_t_to_w local 1511 … weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, & 1517 … weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, weights_sin_tf_t_to_w) 1679 … weights_cos_tf_t_to_w, tj, tau_tj, e_fermi, eps_filter, alpha, & 1702 … weights_cos_tf_t_to_w, tj, tau_tj, e_fermi_beta, eps_filter, alpha, & 1719 … weights_cos_tf_t_to_w, tj, tau_tj, e_fermi_beta, eps_filter, alpha, & 1905 weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, & 1927 weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, &
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H A D | rpa_im_time.F | 121 weights_cos_tf_t_to_w, & argument 141 INTENT(IN) :: weights_cos_tf_t_to_w local 547 weight = weights_cos_tf_t_to_w(iquad, jquad)
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H A D | rpa_gw.F | 1235 weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, & argument 1272 INTENT(IN) :: weights_cos_tf_t_to_w, & local 1347 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, vec_Sigma_c_gw, & 1364 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, vec_Sigma_c_gw_beta, & 4550 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, vec_Sigma_c_gw, & argument 4573 INTENT(IN) :: weights_cos_tf_t_to_w, & local 4703 weight_cos = weights_cos_tf_t_to_w(jquad, iquad)*COS(omega*tau)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_weights.F | 95 INTENT(OUT), OPTIONAL :: weights_cos_tf_t_to_w, & local 235 ALLOCATE (weights_cos_tf_t_to_w(num_integ_points, num_integ_points)) 236 weights_cos_tf_t_to_w = 0.0_dp 239 CALL get_l_sq_wghts_cos_tf_t_to_w(num_integ_points, tau_tj, weights_cos_tf_t_to_w, tj, & 763 INTENT(INOUT) :: weights_cos_tf_t_to_w local 868 weights_cos_tf_t_to_w(jquad, :) = tau_wj_work(:) 1196 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: weights_cos_tf_t_to_w local 1208 ALLOCATE (weights_cos_tf_t_to_w(num_integ_points, num_integ_points)) 1209 weights_cos_tf_t_to_w = 0.0_dp 1238 CALL get_l_sq_wghts_cos_tf_t_to_w(num_integ_points, tau_tj, weights_cos_tf_t_to_w, tj, & [all …]
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H A D | rpa_main.F | 1486 vec_Sigma_x_gw, vec_Sigma_x_gw_beta, weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, & local 1670 … weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, & 1676 … weights_cos_tf_t_to_w, weights_cos_tf_w_to_t, weights_sin_tf_t_to_w) 1841 … weights_cos_tf_t_to_w, tj, tau_tj, e_fermi, eps_filter, alpha, & 1876 … weights_cos_tf_t_to_w, tj, tau_tj, e_fermi_beta, eps_filter, alpha, & 1905 … weights_cos_tf_t_to_w, tj, tau_tj, e_fermi_beta, eps_filter, alpha, & 2091 … tj, tau_tj, weights_sin_tf_t_to_w, weights_cos_tf_t_to_w, & 2108 weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, & 2133 weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, &
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H A D | rpa_gw_kpoints.F | 838 weights_sin_tf_t_to_w, weights_cos_tf_t_to_w, & argument 864 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_t_to_w, & local 949 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, eps_filter, para_env, & 1030 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, eps_filter, para_env, & argument 1057 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_t_to_w, & local 1183 weight_cos = weights_cos_tf_t_to_w(jquad, iquad)*COS(omega*tau)
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H A D | rpa_im_time.F | 128 weights_cos_tf_t_to_w, & argument 145 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: weights_cos_tf_t_to_w local 520 weight = weights_cos_tf_t_to_w(iquad, jquad) 690 mat_dm_loc_occ_cut, mat_dm_loc_virt_cut, weights_cos_tf_t_to_w, & argument 724 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_t_to_w local 786 weights_cos_tf_t_to_w, & 1036 weight = weights_cos_tf_t_to_w(iquad, jquad)
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H A D | rpa_gw.F | 1478 weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, & argument 1515 INTENT(IN) :: weights_cos_tf_t_to_w, & local 1597 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, vec_Sigma_c_gw, do_periodic, & 1616 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, vec_Sigma_c_gw_beta, do_periodic, & 4884 … weights_cos_tf_t_to_w, weights_sin_tf_t_to_w, vec_Sigma_c_gw, do_periodic, & argument 4911 INTENT(IN) :: weights_cos_tf_t_to_w, & local 5100 weight_cos = weights_cos_tf_t_to_w(jquad, iquad)*COS(omega*tau)
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