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Missing PROVIDE

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Thomas Applencourt 2017-01-31 15:55:28 -06:00
parent 8c1569df31
commit 22afa1ea56
1 changed files with 2 additions and 2 deletions
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plugins/MRCC_Utils/amplitudes.irp.f
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@ -126,6 +126,7 @@ END_PROVIDER
wk += 1 wk += 1
do s=1,N_states do s=1,N_states
active_excitation_to_determinants_val(s,wk, ppp) = psi_ref_coef(lref(i), s) active_excitation_to_determinants_val(s,wk, ppp) = psi_ref_coef(lref(i), s)
enddo enddo
active_excitation_to_determinants_idx(wk, ppp) = i active_excitation_to_determinants_idx(wk, ppp) = i
else if(lref(i) < 0) then else if(lref(i) < 0) then
@ -158,7 +159,7 @@ END_PROVIDER
double precision, allocatable :: t(:), A_val_mwen(:,:), As2_val_mwen(:,:) double precision, allocatable :: t(:), A_val_mwen(:,:), As2_val_mwen(:,:)
integer, allocatable :: A_ind_mwen(:) integer, allocatable :: A_ind_mwen(:)
double precision :: sij double precision :: sij
PROVIDE psi_non_ref PROVIDE psi_non_ref active_excitation_to_determinants_val
mrcc_AtA_ind(:) = 0 mrcc_AtA_ind(:) = 0
mrcc_AtA_val(:,:) = 0.d0 mrcc_AtA_val(:,:) = 0.d0
@ -166,7 +167,6 @@ END_PROVIDER
mrcc_N_col(:) = 0 mrcc_N_col(:) = 0
AtA_size = 0 AtA_size = 0
!$OMP PARALLEL default(none) shared(k, active_excitation_to_determinants_idx,& !$OMP PARALLEL default(none) shared(k, active_excitation_to_determinants_idx,&
!$OMP active_excitation_to_determinants_val, hh_nex) & !$OMP active_excitation_to_determinants_val, hh_nex) &
!$OMP private(at_row, a_col, t, i, r1, r2, wk, A_ind_mwen, A_val_mwen,& !$OMP private(at_row, a_col, t, i, r1, r2, wk, A_ind_mwen, A_val_mwen,&