Possibility to increase the number of vectors to be computed

• possibility to change nvec after a restart to ask for more vectors
• possibility to specify the number of converged vectors to increase the convergence threshold on some vectors

src/lect_data.F90

@@ -430,7 +430,7 @@ subroutine wrt_infoinp(iunit, g_info, o_info, v_info, bdav_info)
   !Impressions vecinp et orbinp
   write(iunit,*)     
   write(iunit,fmt1) "  Nbre de vecteurs                 ", v_info%nvec
-  write(iunit,fmt1) "  Nbre de vecteurs converges       ", v_info%nconv
+  if (v_info%nconv.ne.-1) write(iunit,fmt1) "  Nbre de vecteurs converges       ", v_info%nconv
   write(iunit,fmt2) "  2S+1, 2Sz                        ", v_info%stot, v_info%sz
   write(iunit,fmt2) "  Irrep                            ", v_info%vec_irrep
   write(iunit,fmt2) "  Nbre d'electrons actifs          ", g_info%nelact