Added mrcc_noiter

plugins/MRCC_CASSD/mrcc_noiter.irp.f

@@ -0,0 +1,41 @@
+program mrcc_noiter
+  implicit none
+  read_wf = .True.
+  SOFT_TOUCH read_wf
+  call print_cas_coefs
+  call set_generators_bitmasks_as_holes_and_particles
+  call run
+end
+
+subroutine run
+  implicit none
+  
+  double precision :: lambda
+  integer :: i,j
+  do j=1,N_states_diag
+    do i=1,N_det
+      psi_coef(i,j) = CI_eigenvectors_dressed(i,j) 
+    enddo
+  enddo
+  SOFT_TOUCH psi_coef ci_energy_dressed
+  call write_double(6,ci_energy_dressed(1),"Final MRCC energy")
+  call ezfio_set_mrcc_cassd_energy(ci_energy_dressed(1))
+  call save_wavefunction
+
+end
+
+
+subroutine print_cas_coefs
+  implicit none
+
+  integer :: i,j
+  print *,  'CAS'
+  print *,  '==='
+  do i=1,N_det_cas
+    print *,  psi_cas_coef(i,:)
+    call debug_det(psi_cas(1,1,i),N_int)
+  enddo
+  call write_double(6,ci_energy(1),"Initial CI energy")
+
+end
+