/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_grids.F | 78 weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, & argument 98 weights_cos_tf_w_to_t, & local 126 … PRESENT(weights_cos_tf_w_to_t) .AND. PRESENT(weights_sin_tf_t_to_w) .AND. PRESENT(mp2_env))) THEN 258 ALLOCATE (weights_cos_tf_w_to_t(num_integ_points, num_integ_points)) 259 weights_cos_tf_w_to_t = 0.0_dp 261 … CALL get_l_sq_wghts_cos_tf_w_to_t(num_integ_points, tau_tj, weights_cos_tf_w_to_t, tj, & 1272 …SUBROUTINE get_l_sq_wghts_cos_tf_w_to_t(num_integ_points, tau_tj, weights_cos_tf_w_to_t, omega_tj,… argument 1279 INTENT(INOUT) :: weights_cos_tf_w_to_t local 1387 weights_cos_tf_w_to_t(jquad, :) = omega_wj_work(:)
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H A D | rpa_gw_kpoints.F | 93 ikp, tj, tau_tj, weights_cos_tf_w_to_t, ikp_local, & argument 102 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_w_to_t local 321 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega) 346 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega) 446 ikp, tj, tau_tj, weights_cos_tf_w_to_t) argument 454 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_w_to_t local 517 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega)
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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 109 INTENT(IN) :: weights_cos_tf_w_to_t local 194 ikp, tj, tau_tj, weights_cos_tf_w_to_t, & 207 weights_cos_tf_w_to_t)
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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) 1815 … para_env_RPA, Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, & 1837 … vec_W_gw, wj, weights_cos_tf_w_to_t, fm_mat_W, fm_mat_L, & 1850 … vec_W_gw, wj, weights_cos_tf_w_to_t, fm_mat_W, fm_mat_L, & 2047 … CALL deallocate_matrices_gw_im_time(weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, do_ic_model, & 2056 … CALL deallocate_matrices_gw_im_time(weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, do_ic_model, &
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H A D | rpa_gw.F | 708 …SUBROUTINE deallocate_matrices_gw_im_time(weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, do_ic_mode… argument 716 INTENT(INOUT) :: weights_cos_tf_w_to_t, & local 744 IF (ALLOCATED(weights_cos_tf_w_to_t)) DEALLOCATE (weights_cos_tf_w_to_t) 841 vec_W_gw, wj, weights_cos_tf_w_to_t, fm_mat_W, fm_mat_L, & argument 869 INTENT(IN) :: weights_cos_tf_w_to_t local 1012 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_weights.F | 76 weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, & argument 96 weights_cos_tf_w_to_t, & local 124 … PRESENT(weights_cos_tf_w_to_t) .AND. PRESENT(weights_sin_tf_t_to_w) .AND. PRESENT(mp2_env))) THEN 245 ALLOCATE (weights_cos_tf_w_to_t(num_integ_points, num_integ_points)) 246 weights_cos_tf_w_to_t = 0.0_dp 248 … CALL get_l_sq_wghts_cos_tf_w_to_t(num_integ_points, tau_tj, weights_cos_tf_w_to_t, tj, & 1264 …SUBROUTINE get_l_sq_wghts_cos_tf_w_to_t(num_integ_points, tau_tj, weights_cos_tf_w_to_t, omega_tj,… argument 1271 INTENT(INOUT) :: weights_cos_tf_w_to_t local 1379 weights_cos_tf_w_to_t(jquad, :) = omega_wj_work(:)
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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 109 INTENT(IN) :: weights_cos_tf_w_to_t local 194 ikp, tj, tau_tj, weights_cos_tf_w_to_t, & 207 weights_cos_tf_w_to_t)
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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) 2009 … para_env_RPA, Erpa, tau_tj, tj, wj, weights_cos_tf_w_to_t, wkp_W, do_gw_im_time, & 2031 … vec_W_gw, wj, weights_cos_tf_w_to_t, fm_mat_W_tau, fm_mat_L, & 2044 … vec_W_gw, wj, weights_cos_tf_w_to_t, fm_mat_W_tau, fm_mat_L, & 2264 … CALL deallocate_matrices_gw_im_time(weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, do_ic_model, & 2278 … CALL deallocate_matrices_gw_im_time(weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, do_ic_model, &
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H A D | rpa_gw_kpoints.F | 107 ikp, tj, tau_tj, weights_cos_tf_w_to_t, ikp_local, & argument 116 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_w_to_t local 335 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega) 360 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega) 460 ikp, tj, tau_tj, weights_cos_tf_w_to_t) argument 468 REAL(KIND=dp), DIMENSION(:, :) :: weights_cos_tf_w_to_t local 531 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega)
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H A D | rpa_gw.F | 907 …SUBROUTINE deallocate_matrices_gw_im_time(weights_cos_tf_w_to_t, weights_sin_tf_t_to_w, do_ic_mode… argument 921 INTENT(INOUT) :: weights_cos_tf_w_to_t, & local 965 DEALLOCATE (weights_cos_tf_w_to_t) 1090 vec_W_gw, wj, weights_cos_tf_w_to_t, fm_mat_W_tau, fm_mat_L, & argument 1117 INTENT(IN) :: weights_cos_tf_w_to_t local 1245 weight = weights_cos_tf_w_to_t(iquad, jquad)*COS(tau*omega)
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