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quantum_package/src/Dets/determinants.ezfio_config

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determinants
n_int integer
bit_kind integer
mo_label character*(64)
n_det integer
n_states integer
n_states_diag integer
psi_coef double precision (determinants_n_det,determinants_n_states)
psi_det integer*8 (determinants_n_int*determinants_bit_kind/8,2,determinants_n_det)
n_det_max_jacobi integer
threshold_generators double precision
threshold_selectors double precision
det_num integer
det_occ integer (electrons_elec_alpha_num,determinants_det_num,2)
det_coef double precision (determinants_det_num)
read_wf logical
expected_s2 double precision
s2_eig logical
only_single_double_dm logical