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Corrected bug for excited stated MRCC

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This commit is contained in:
Anthony Scemama 2016-11-03 00:29:49 +01:00
parent 1a6caf66b5
commit 33e5b93866
1 changed files with 6 additions and 3 deletions
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9
plugins/MRCC_Utils/mrcc_utils.irp.f
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@ -821,9 +821,10 @@ END_PROVIDER
rho_mrcc_init = 0d0
allocate(lref(N_det_ref))
!$OMP PARALLEL DO default(shared) schedule(static, 1) &
!$OMP PARALLEL default(shared) &
!$OMP private(lref, hh, pp, II, myMask, myDet, ok, ind, phase)
allocate(lref(N_det_ref))
!$OMP DO schedule(static, 1)
do hh = 1, hh_shortcut(0)
do pp = hh_shortcut(hh), hh_shortcut(hh+1)-1
if(active(pp)) cycle
@ -852,7 +853,9 @@ END_PROVIDER
end do
end do
end do
!$OMP END PARALLEL DO
!$OMP END DO
deallocate(lref)
!$OMP END PARALLEL
x_new = x