LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-13 17:43:55 +01:00
Code Issues Releases Wiki Activity

Missing PROVIDE

Browse Source
This commit is contained in:
Thomas Applencourt 2017-01-31 15:55:28 -06:00
parent 8c1569df31
commit 22afa1ea56
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
plugins/MRCC_Utils/amplitudes.irp.f
View File

@ -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,&