From e89191d815c42d93afc9c295ca3e26de3d25ce83 Mon Sep 17 00:00:00 2001 From: Manu Date: Mon, 29 Jun 2015 11:15:47 +0200 Subject: [PATCH] pouet --- plugins/Full_CI/full_ci_no_skip.irp.f | 1 + 1 file changed, 1 insertion(+) diff --git a/plugins/Full_CI/full_ci_no_skip.irp.f b/plugins/Full_CI/full_ci_no_skip.irp.f index fd85d2c0..c9b8d1a0 100644 --- a/plugins/Full_CI/full_ci_no_skip.irp.f +++ b/plugins/Full_CI/full_ci_no_skip.irp.f @@ -76,6 +76,7 @@ program full_ci call diagonalize_CI if(do_pt2_end)then print*,'Last iteration only to compute the PT2' +! print*,'The thres' threshold_selectors = 1.d0 threshold_generators = 0.999d0 call H_apply_FCI_PT2(pt2, norm_pert, H_pert_diag, N_st)