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Searched defs:para_env_RPA (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_kpoints.F95 …postprocessing_kp(dimen_RI, num_integ_points, jquad, nkp, count_ev_sc_GW, para_env, para_env_RPA, & argument
103 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
376 SUBROUTINE cholesky_decomp_Q(cfm_mat_Q, para_env_RPA, trace_Qomega, dimen_RI) argument
379 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
432 SUBROUTINE frequency_and_kpoint_integration(Erpa, cfm_mat_Q, para_env_RPA, trace_Qomega, & argument
437 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
H A Drpa_communication.F84 map_send_size, map_rec_size, local_size_source, para_env_RPA) argument
92 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
342 map_send_size, map_rec_size, local_size_source, para_env_RPA) argument
344 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
595 SUBROUTINE gamma_fm_to_dbcsr(fm_mat_Gamma_3, dbcsr_Gamma_3, para_env_RPA, para_env_sub, & argument
600 TYPE(cp_para_env_type), POINTER :: para_env_RPA, para_env_sub local
H A Drpa_util.F596 …para_env_RPA, do_bse, fm_mat_Q_static_bse_gemm, RPA_proc_map, buffer_rec, buffer_send, number_of_s… argument
607 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
776 …_S_to_Q(mm_style, dimen_RI, dimen_ia, alpha, fm_mat_S, fm_mat_Q_gemm, para_env_RPA, my_num_dgemm_c… argument
783 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
839 SUBROUTINE RPA_postprocessing_start(dimen_RI, trace_Qomega, fm_mat_Q, para_env_RPA) argument
844 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
890 SUBROUTINE RPA_postprocessing_nokp(dimen_RI, trace_Qomega, fm_mat_Q, para_env_RPA, Erpa, wjquad) argument
895 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
H A Drpa_axk.F95 para_env_sub, para_env_RPA, & argument
103 TYPE(cp_para_env_type), POINTER :: para_env_sub, para_env_RPA local
H A Dmp2_grids.F308 …SUBROUTINE get_clenshaw_grid(para_env, para_env_RPA, unit_nr, homo, virtual, Eigenval, num_integ_p… argument
313 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
400 SUBROUTINE calc_scaling_factor(a_scaling_ext, para_env, para_env_RPA, homo, virtual, Eigenval, & argument
405 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
549 …SUBROUTINE calc_ia_ia_integrals(para_env_RPA, homo, virtual, nrow_local, right_term_ref, Eigenval,… argument
552 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
H A Drpa_main.F230 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
895 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, & argument
909 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
1253 SUBROUTINE rpa_num_int(qs_env, Erpa, mp2_env, para_env, para_env_RPA, para_env_sub, unit_nr, & argument
1276 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA, para_env_sub local
H A Drpa_gw.F844 para_env_RPA, matrix_berry_im_mo_mo, matrix_berry_re_mo_mo, & argument
875 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
1238 … mo_coeff, fm_mat_W, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, & argument
1277 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
1613 …SUBROUTINE calc_periodic_correction(delta_corr, qs_env, para_env, para_env_RPA, kp_grid, homo, nmo… argument
1622 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
1689 …ute_eps_head_Berry(eps_head, kpoints, matrix_berry_re_mo_mo, matrix_berry_im_mo_mo, para_env_RPA, & argument
1697 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
2401 para_env_RPA, do_extra_kpoints) argument
2412 TYPE(cp_para_env_type), OPTIONAL, POINTER :: para_env_RPA local
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_kpoints.F95 …postprocessing_kp(dimen_RI, num_integ_points, jquad, nkp, count_ev_sc_GW, para_env, para_env_RPA, & argument
103 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
376 SUBROUTINE cholesky_decomp_Q(cfm_mat_Q, para_env_RPA, trace_Qomega, dimen_RI) argument
379 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
432 SUBROUTINE frequency_and_kpoint_integration(Erpa, cfm_mat_Q, para_env_RPA, trace_Qomega, & argument
437 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
H A Drpa_communication.F84 map_send_size, map_rec_size, local_size_source, para_env_RPA) argument
92 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
342 map_send_size, map_rec_size, local_size_source, para_env_RPA) argument
344 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
595 SUBROUTINE gamma_fm_to_dbcsr(fm_mat_Gamma_3, dbcsr_Gamma_3, para_env_RPA, para_env_sub, & argument
600 TYPE(cp_para_env_type), POINTER :: para_env_RPA, para_env_sub local
H A Drpa_axk.F95 para_env_sub, para_env_RPA, & argument
103 TYPE(cp_para_env_type), POINTER :: para_env_sub, para_env_RPA local
H A Drpa_util.F1034 …para_env_RPA, do_bse, fm_mat_Q_static_bse_gemm, RPA_proc_map, buffer_rec, buffer_send, number_of_s… argument
1045 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
1210 …_S_to_Q(mm_style, dimen_RI, dimen_ia, alpha, fm_mat_S, fm_mat_Q_gemm, para_env_RPA, my_num_dgemm_c… argument
1217 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
1273 SUBROUTINE RPA_postprocessing_start(dimen_RI, trace_Qomega, fm_mat_Q, para_env_RPA) argument
1278 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
1324 SUBROUTINE RPA_postprocessing_nokp(dimen_RI, trace_Qomega, fm_mat_Q, para_env_RPA, Erpa, wjquad) argument
1329 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
H A Dmp2_weights.F295 …SUBROUTINE get_clenshaw_weights(para_env, para_env_RPA, unit_nr, homo, virtual, Eigenval, num_inte… argument
300 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
388 SUBROUTINE calc_scaling_factor(a_scaling_ext, para_env, para_env_RPA, homo, virtual, Eigenval, & argument
393 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
537 …SUBROUTINE calc_ia_ia_integrals(para_env_RPA, homo, virtual, nrow_local, right_term_ref, Eigenval,… argument
540 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
H A Drpa_gw.F1093 para_env_RPA, matrix_berry_im_mo_mo, matrix_berry_re_mo_mo, & argument
1123 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
1481 … mo_coeff, fm_mat_W_tau, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, & argument
1520 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
1848 …SUBROUTINE calc_periodic_correction(delta_corr, qs_env, para_env, para_env_RPA, kp_grid, homo, nmo… argument
1857 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA local
1932 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
2652 para_env_RPA, do_extra_kpoints) argument
2663 TYPE(cp_para_env_type), OPTIONAL, POINTER :: para_env_RPA local
4885 … num_points_corr, delta_corr, qs_env, para_env, para_env_RPA, & argument
[all …]
H A Drpa_main.F258 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
903 para_env_RPA, fm_mat_S, nrow_block_mat, ncol_block_mat, & argument
917 TYPE(cp_para_env_type), POINTER :: para_env_RPA local
1378 SUBROUTINE rpa_num_int(qs_env, Erpa, mp2_env, para_env, para_env_RPA, para_env_sub, unit_nr, & argument
1402 TYPE(cp_para_env_type), POINTER :: para_env, para_env_RPA, para_env_sub local