src/casscf/cisd_routine.irp.f

@@ -6,10 +6,6 @@ subroutine cisd_scf_iteration(converged,iteration,energy,thr)
  double precision, intent(out) :: energy
  converged = .False.
  call only_act_bitmask
- N_det = N_det_generators
- psi_coef = psi_coef_generators
- psi_det  = psi_det_generators
- touch  N_det psi_coef psi_det
  call run_cisd
  call change_orb_cisd(converged,iteration,energy,thr)
 end

src/casscf/densities.irp.f

@@ -56,7 +56,7 @@ BEGIN_PROVIDER [real*8, P0tuvx, (n_act_orb,n_act_orb,n_act_orb,n_act_orb) ]
       uu = list_act(u)
       do t = 1, n_act_orb
        tt = list_act(t)
-       P0tuvx(t,u,v,x) = state_av_act_two_rdm_openmp_spin_trace_mo(t,v,u,x)
+       P0tuvx(t,u,v,x) = state_av_act_two_rdm_spin_trace_mo(t,v,u,x)
       enddo
      enddo 
     enddo

src/casscf/test_pert_2rdm.irp.f

@@ -2,7 +2,7 @@ program test_pert_2rdm
  implicit none
  read_wf = .True.
  touch read_wf
-!call get_pert_2rdm
+ call get_pert_2rdm
  integer :: i,j,k,l,ii,jj,kk,ll
  double precision :: accu , get_two_e_integral, integral
  accu = 0.d0

src/generators_fluid/generators_hf.irp.f

@@ -34,7 +34,7 @@ END_PROVIDER
  end do
 
  psi_det_generators_HF(:,:,1) = psi_det(:,:,j)
- psi_coef_generators_HF(1,:) = 1.d0
+ psi_coef_generators_HF(1,:) = psi_coef_generators_HF(j,:)
 
 END_PROVIDER