quantum_package/plugins/eginer/CID/cid_lapack.irp.f

program cid
  implicit none
  integer :: i

  diag_algorithm = "Lapack"
  touch diag_algorithm
  print *,   'HF      = ', HF_energy
  print *,  'N_states = ', N_states
  call H_apply_cid
  print *,  'N_det = ', N_det
  do i = 1,N_states
   print *,  'energy  = ',CI_energy(i) 
   print *,  'E_corr  = ',CI_electronic_energy(i) - ref_bitmask_energy
  enddo

end
Maj doc for CID 2015-06-25 10:34:53 +02:00			`program cid`
add CID, CID_selected, CID_SC2_selected, just for fun ... 2014-06-11 00:44:07 +02:00			`implicit none`
			`integer :: i`

			`diag_algorithm = "Lapack"`
			`touch diag_algorithm`
			`print *, 'HF = ', HF_energy`
			`print *, 'N_states = ', N_states`
Maj doc for CID 2015-06-25 10:34:53 +02:00			`call H_apply_cid`
add CID, CID_selected, CID_SC2_selected, just for fun ... 2014-06-11 00:44:07 +02:00			`print *, 'N_det = ', N_det`
			`do i = 1,N_states`
			`print *, 'energy = ',CI_energy(i)`
			`print *, 'E_corr = ',CI_electronic_energy(i) - ref_bitmask_energy`
			`enddo`

			`end`