fcidump
Produce a regular FCIDUMP file from the MOs stored in the EZFIO directory.
To specify an active space, the class of the MOs have to set in the EZFIO directory (see qp_set_mo_class).
The fcidump program supports 3 types of MO classes :
the core orbitals which are always doubly occupied in the calculation
the deleted orbitals that are never occupied in the calculation
the active orbitals that are occupied with a varying number of electrons
Needs:
core_energy
core_fock_operator
elec_alpha_num
elec_beta_num
elec_num
ezfio_filename
list_act
mo_integrals_map
mo_integrals_threshold
mo_one_e_integrals
mo_two_e_integrals_in_map
n_act_orb
n_core_orb