Added -q to qp_set_frozen_core

plugins/Full_CI_ZMQ/fci_zmq.irp.f

@@ -36,7 +36,7 @@ program fci_zmq
   print*,'Beginning the selection ...'
   E_CI_before = CI_energy
   
-  do while (N_det < N_det_max.and.maxval(abs(pt2(1:N_st))) > pt2_max)
+  do while ( (N_det < N_det_max) .and. (maxval(abs(pt2(1:N_st))) > pt2_max) )
     n_det_before = N_det
     call ZMQ_selection(max(1024-N_det, N_det), pt2)
     

scripts/qp_set_frozen_core.py

@@ -19,9 +19,13 @@ for charge in ezfio.nuclei_nucl_charge:
 
 mo_tot_num = ezfio.mo_basis_mo_tot_num
 
+if len(sys.argv)>2:
+  if sys.argv[2] == '-q':
+    print nb
+    sys.exit(0)
+
 if nb == 0:
   os.system( """qp_set_mo_class -act "[1-%d]" %s"""%(mo_tot_num, sys.argv[1]) )
 else:
   os.system( """qp_set_mo_class -core "[1-%d]" -act "[%d-%d]" %s"""%(nb, nb+1, mo_tot_num, sys.argv[1]) )
 
-