| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rpa_gw_kpoints.F | 107 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
273 coskl = wkp_W(ikp)*COS(twopi*arg)
274 sinkl = wkp_W(ikp)*SIN(twopi*arg)
538 SUBROUTINE compute_wkp_W(wkp_W, kpoints, h_mat, h_inv, exp_kpoints, periodic) argument
539 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
618 ALLOCATE (wkp_W(num_lin_eqs))
625 wkp_W(1:num_lin_eqs) = MATMUL(matrix_lin_eqs, right_side)
704 ALLOCATE (wkp_W(num_lin_eqs))
711 wkp_W(1:num_lin_eqs) = MATMUL(matrix_lin_eqs, right_side)
717 ALLOCATE (wkp_W(nkp))
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| H A D | rpa_util.F | 142 has_mat_P_blocks, wkp_W, & argument
174 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
245 CALL compute_wkp_W(wkp_W, kpoints, cell%hmat, cell%h_inv, &
1063 wkp_W, cfm_mat_Q, fm_mat_L, fm_mat_RI_global_work, fm_mat_work, & argument
1083 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
1174 DEALLOCATE (wkp_W)
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| H A D | rpa_kpoints.F | 96 … Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, do_ri_Sigma_x, & argument
110 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
182 ikp_local, para_env, kpoints, qs_env, wkp_W, &
195 ikp_local, para_env, kpoints, qs_env, wkp_W, &
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| H A D | rpa_main.F | 1349 REAL(KIND=dp), DIMENSION(:), POINTER :: ic_corr_list, ic_corr_list_beta, wkp_W local
1455 has_mat_P_blocks, wkp_W, &
1815 … para_env_RPA, Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, &
2026 wkp_W, cfm_mat_Q, fm_mat_L, fm_mat_RI_global_work, fm_mat_work, &
2038 wkp_W, cfm_mat_Q, fm_mat_L, fm_mat_RI_global_work, fm_mat_work, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rpa_gw_kpoints.F | 121 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
287 coskl = wkp_W(ikp)*COS(twopi*arg)
288 sinkl = wkp_W(ikp)*SIN(twopi*arg)
553 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
632 ALLOCATE (wkp_W(num_lin_eqs))
718 ALLOCATE (wkp_W(num_lin_eqs))
731 ALLOCATE (wkp_W(nkp))
732 wkp_W(:) = wkp(:)
920 start_jquad, wkp_W)
2669 coskl = wkp_W(ik)*COS(twopi*arg)
[all …]
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| H A D | rpa_kpoints.F | 96 … Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, do_ri_Sigma_x, & argument
110 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
182 ikp_local, para_env, kpoints, qs_env, wkp_W, &
195 ikp_local, para_env, kpoints, qs_env, wkp_W, &
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| H A D | rpa_util.F | 195 multiply_needed_virt, has_mat_P_blocks, buffer_mat_M, wkp_W, & argument
250 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
372 CALL compute_wkp_W(wkp_W, kpoints, cell%hmat, cell%h_inv, &
1828 … buffer_mat_M, wkp_W, cfm_mat_Q, fm_mat_L, fm_mat_RI_global_work, fm_mat_work, & argument
1860 REAL(KIND=dp), DIMENSION(:), POINTER :: wkp_W local
1998 DEALLOCATE (wkp_W)
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| H A D | rpa_main.F | 1490 REAL(KIND=dp), DIMENSION(:), POINTER :: ic_corr_list, ic_corr_list_beta, wkp_W local
1600 multiply_needed_virt, has_mat_P_blocks, buffer_mat_M, wkp_W, &
2009 … para_env_RPA, Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, &
2092 num_integ_points, stabilize_exp, fm_mat_L, wkp_W)
2239 … has_mat_P_blocks, buffer_mat_M, wkp_W, cfm_mat_Q, fm_mat_L, fm_mat_RI_global_work, fm_mat_work, &
2253 … has_mat_P_blocks, buffer_mat_M, wkp_W, cfm_mat_Q, fm_mat_L, fm_mat_RI_global_work, fm_mat_work, &
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