Fixed multi-state

2017-11-21 15:52:16 +01:00 · 2017-11-21 15:52:16 +01:00 · 32614df72b
parent c63d4255d7
commit 32614df72b
1 changed files with 3 additions and 0 deletions
--- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
+++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
@ -116,6 +116,9 @@ subroutine ZMQ_pt2(E, pt2,relative_error, absolute_error, error)
      deallocate(pt2_detail, comb, computed, tbc)
    enddo
    pt2_stoch_istate = 1
+    w(:) = 1.d0/N_states
+    call update_psi_average_norm_contrib(w)
+    SOFT_TOUCH psi_average_norm_contrib
  endif

 end subroutine