quantum_package/plugins/CISD/cisd_lapack.irp.f

program cisd
  implicit none
  integer :: i

  diag_algorithm = "Lapack"
  touch diag_algorithm
  print *,   'HF      = ', HF_energy
  print *,  'N_states = ', N_states
  call H_apply_cisd
  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
Selection and perturbation work. Introduced new tests. 2014-05-24 02:39:18 +02:00			`program cisd`
			`implicit none`
			`integer :: i`
CISD is cleaned. Perturbation/selection is broken 2014-05-25 01:18:41 +02:00
			`diag_algorithm = "Lapack"`
CISD_SC2 ok, CISD_SC2_selected ok 2014-05-30 18:07:04 +02:00			`touch diag_algorithm`
CISD is cleaned. Perturbation/selection is broken 2014-05-25 01:18:41 +02:00			`print *, 'HF = ', HF_energy`
			`print *, 'N_states = ', N_states`
Selection and perturbation work. Introduced new tests. 2014-05-24 02:39:18 +02:00			`call H_apply_cisd`
			`print *, 'N_det = ', N_det`
CISD is cleaned. Perturbation/selection is broken 2014-05-25 01:18:41 +02:00			`do i = 1,N_states`
			`print *, 'energy = ',CI_energy(i)`
			`print *, 'E_corr = ',CI_electronic_energy(i) - ref_bitmask_energy`
Selection and perturbation work. Introduced new tests. 2014-05-24 02:39:18 +02:00			`enddo`

CISD is cleaned. Perturbation/selection is broken 2014-05-25 01:18:41 +02:00			`end`