quantum_package/src/Dets/determinants.ezfio_config

determinants
  n_int         integer
  bit_kind      integer
  mo_label      character*(64)
  n_det         integer
  n_states      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)
  H_apply_threshold  double precision
  n_det_max_jacobi integer
  threshold_generators  double precision
  threshold_selectors   double precision
Updated documentation 2014-05-14 00:01:31 +02:00			`determinants`
Save wavefunction 2014-06-07 22:07:50 +02:00			`n_int integer`
Updated documentation 2014-05-14 00:01:31 +02:00			`bit_kind integer`
Bug corrected in saved wave function 2014-06-09 00:15:48 +02:00			`mo_label character*(64)`
CISD is cleaned. Perturbation/selection is broken 2014-05-25 01:18:41 +02:00			`n_det integer`
Updated documentation 2014-05-14 00:01:31 +02:00			`n_states integer`
CISD is cleaned. Perturbation/selection is broken 2014-05-25 01:18:41 +02:00			`psi_coef double precision (determinants_n_det,determinants_n_states)`
Save wavefunction 2014-06-07 22:07:50 +02:00			`psi_det integer8 (determinants_n_intdeterminants_bit_kind/8,2,determinants_n_det)`
Updated documentation 2014-05-14 00:01:31 +02:00			`H_apply_threshold double precision`
CISD_SC2_selected works better, new pertrubation sc2, better selection 2014-06-01 22:03:26 +02:00			`n_det_max_jacobi integer`
Accelerated selection using dichotomy 2014-06-02 15:18:45 +02:00			`threshold_generators double precision`
			`threshold_selectors double precision`