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openmp issue solved

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AbdAmmar 2024-08-05 14:50:37 +02:00
parent 67a2f0eb0c
commit 4744fc7360
1 changed files with 2 additions and 0 deletions
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plugins/local/tc_bi_ortho/tc_utils.irp.f
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@ -11,6 +11,8 @@ subroutine write_tc_energy()
! GS
! ---
call htilde_mu_mat_opt_bi_ortho(psi_det(1,1,1), psi_det(1,1,1), N_int, hmono, htwoe, hthree, htot)
allocate(E_TC_tmp(N_det), E_1e_tmp(N_det), E_2e_tmp(N_det), E_3e_tmp(N_det))
!$OMP PARALLEL &