diff --git a/plugins/mrcepa0/mrcc_stoch_routines.irp.f b/plugins/mrcepa0/mrcc_stoch_routines.irp.f index 78940d5e..d68b5137 100644 --- a/plugins/mrcepa0/mrcc_stoch_routines.irp.f +++ b/plugins/mrcepa0/mrcc_stoch_routines.irp.f @@ -32,17 +32,15 @@ subroutine ZMQ_mrcc(E, mrcc, delta, delta_s2, relative_error) double precision, external :: omp_get_wtime double precision :: time - double precision :: w(N_states) + state_average_weight(:) = 0.d0 + state_average_weight(mrcc_stoch_istate) = 1.d0 + TOUCH state_average_weight + provide nproc fragment_first fragment_count mo_bielec_integrals_in_map mo_mono_elec_integral mrcc_weight psi_selectors - w(:) = 0.d0 - w(mrcc_stoch_istate) = 1.d0 - call update_psi_average_norm_contrib(w) - - print *, '========== ================= ================= ================='