From 22afa1ea56d6401df369a686a2a2c1dc242083ad Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Tue, 31 Jan 2017 15:55:28 -0600 Subject: [PATCH] Missing PROVIDE --- plugins/MRCC_Utils/amplitudes.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/plugins/MRCC_Utils/amplitudes.irp.f b/plugins/MRCC_Utils/amplitudes.irp.f index 0e6a4cf4..48c8b7d7 100644 --- a/plugins/MRCC_Utils/amplitudes.irp.f +++ b/plugins/MRCC_Utils/amplitudes.irp.f @@ -126,6 +126,7 @@ END_PROVIDER wk += 1 do s=1,N_states active_excitation_to_determinants_val(s,wk, ppp) = psi_ref_coef(lref(i), s) + enddo active_excitation_to_determinants_idx(wk, ppp) = i else if(lref(i) < 0) then @@ -158,7 +159,7 @@ END_PROVIDER double precision, allocatable :: t(:), A_val_mwen(:,:), As2_val_mwen(:,:) integer, allocatable :: A_ind_mwen(:) double precision :: sij - PROVIDE psi_non_ref + PROVIDE psi_non_ref active_excitation_to_determinants_val mrcc_AtA_ind(:) = 0 mrcc_AtA_val(:,:) = 0.d0 @@ -166,7 +167,6 @@ END_PROVIDER mrcc_N_col(:) = 0 AtA_size = 0 - !$OMP PARALLEL default(none) shared(k, active_excitation_to_determinants_idx,& !$OMP active_excitation_to_determinants_val, hh_nex) & !$OMP private(at_row, a_col, t, i, r1, r2, wk, A_ind_mwen, A_val_mwen,&