======= mrcepa0 ======= Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png * `Perturbation `_ * `Selectors_full `_ * `Generators_full `_ * `Psiref_CAS `_ * `MRCC_Utils `_ * `ZMQ `_ Documentation ============= .. Do not edit this section It was auto-generated .. by the `update_README.py` script. `active_sorb `_ Undocumented `add_comb `_ Undocumented `blokmwen `_ Undocumented `cepa0_shortcut `_ Undocumented `child_num `_ Undocumented `comb `_ Undocumented `comb_step `_ Undocumented `comb_teeth `_ Undocumented `cp_first_tooth `_ Undocumented `cps `_ Undocumented `cps_n `_ Undocumented `delta_cas `_ Undocumented `delta_cas_s2 `_ Undocumented `delta_ii `_ Undocumented `delta_ii_cancel `_ Undocumented `delta_ii_mrcc `_ Undocumented `delta_ii_mrcc_sto `_ Undocumented `delta_ii_mrcc_zmq `_ Undocumented `delta_ii_old `_ Undocumented `delta_ii_s2 `_ Undocumented `delta_ii_s2_cancel `_ Undocumented `delta_ii_s2_mrcc `_ Undocumented `delta_ii_s2_mrcc_sto `_ Undocumented `delta_ii_s2_mrcc_zmq `_ Undocumented `delta_ii_s2_old `_ Undocumented `delta_ij `_ Undocumented `delta_ij_cancel `_ Undocumented `delta_ij_mrcc `_ Undocumented `delta_ij_mrcc_sto `_ Undocumented `delta_ij_mrcc_zmq `_ Undocumented `delta_ij_old `_ Undocumented `delta_ij_s2 `_ Undocumented `delta_ij_s2_cancel `_ Undocumented `delta_ij_s2_mrcc `_ Undocumented `delta_ij_s2_mrcc_sto `_ Undocumented `delta_ij_s2_mrcc_zmq `_ Undocumented `delta_ij_s2_old `_ Undocumented `delta_mrcepa0_ii `_ Undocumented `delta_mrcepa0_ii_s2 `_ Undocumented `delta_mrcepa0_ij `_ Undocumented `delta_mrcepa0_ij_s2 `_ Undocumented `delta_sub_ii `_ Undocumented `delta_sub_ij `_ Undocumented `det_cepa0 `_ Undocumented `det_cepa0_active `_ Undocumented `det_cepa0_idx `_ Undocumented `det_ref_active `_ Undocumented `done_cp_at `_ Undocumented `filter_tq `_ Undocumented `filter_tq_micro `_ Undocumented `first_det_of_comb `_ Undocumented `first_det_of_teeth `_ Undocumented `fractage `_ Undocumented `fragment_count `_ Number of fragments for the deterministic part `fragment_first `_ Undocumented `gen_per_cp `_ Undocumented `get_comb `_ Undocumented `get_comb_val `_ Undocumented `gethp `_ Undocumented `h_cache `_ Undocumented `initialize_mrcc_e0_denominator `_ If true, initialize mrcc_E0_denominator `isincassd `_ Undocumented `lambda_type `_ lambda type `linked `_ Undocumented `mrcc_collector `_ Undocumented `mrcc_cweight `_ Undocumented `mrcc_cweight_cache `_ Undocumented `mrcc_e0_denominator `_ E0 in the denominator of the mrcc `mrcc_find `_ Undocumented `mrcc_jobs `_ Undocumented `mrcc_norm `_ Undocumented `mrcc_norm_acc `_ Undocumented `mrcc_part_dress `_ Undocumented `mrcc_part_dress_1c `_ Undocumented `mrcc_previous_e `_ energy difference between last two mrcc iterations `mrcc_slave `_ Helper program to compute the mrcc in distributed mode. `mrcc_slave_inproc `_ Undocumented `mrcc_slave_tcp `_ Undocumented `mrcc_stoch `_ Undocumented `mrcc_stoch_istate `_ State considered `mrcc_teeth `_ Undocumented `mrcc_teeth_size `_ Undocumented `mrcc_weight `_ Undocumented `mrcc_weight_inv `_ Undocumented `mrcc_workload `_ Undocumented `mrcepa0 `_ Undocumented `mrsc2 `_ Undocumented `mrsc2_dressing_collector `_ Collects results from the AO integral calculation `mrsc2_dressing_slave `_ Task for parallel MR-SC2 `mrsc2_dressing_slave_inproc `_ Task for parallel MR-SC2 `mrsc2_dressing_slave_tcp `_ Task for parallel MR-SC2 `mrsc2sub `_ Undocumented `n_cp `_ Undocumented `n_cps_max `_ Undocumented `n_it_max_dressed_ci `_ Maximum number of dressed CI iterations `n_mrcc_jobs `_ Undocumented `n_mrcc_teeth `_ Undocumented `nlink `_ Undocumented `perturbative_triples `_ Compute perturbative contribution of the Triples `print_cas_coefs `_ Undocumented `provide_everything `_ Undocumented `pull_mrcc_results `_ Undocumented `pull_mrsc2_results `_ Push integrals in the push socket `push_mrcc_results `_ Undocumented `push_mrsc2_results `_ Push integrals in the push socket `run `_ Undocumented `run_mrcc_slave `_ Undocumented `run_pt2 `_ Undocumented `run_pt2_old `_ Undocumented `run_wf `_ Undocumented `s2_cache `_ Undocumented `searchance `_ Undocumented `set_det_bit `_ Undocumented `thresh_dressed_ci `_ Threshold on the convergence of the dressed CI energy `tooth_of_det `_ Undocumented `zmq_mrcc `_ Undocumented