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pouet
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@ -76,6 +76,7 @@ program full_ci
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call diagonalize_CI
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call diagonalize_CI
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if(do_pt2_end)then
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if(do_pt2_end)then
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print*,'Last iteration only to compute the PT2'
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print*,'Last iteration only to compute the PT2'
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! print*,'The thres'
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threshold_selectors = 1.d0
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threshold_selectors = 1.d0
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threshold_generators = 0.999d0
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threshold_generators = 0.999d0
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call H_apply_FCI_PT2(pt2, norm_pert, H_pert_diag, N_st)
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call H_apply_FCI_PT2(pt2, norm_pert, H_pert_diag, N_st)
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