From 20bed4f44a85e5717ac535cd98360d55119518ac Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 10 May 2023 12:22:56 +0200 Subject: [PATCH] Fix reversed print of minimum PT2 in extrapolations --- src/iterations/print_extrapolation.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/iterations/print_extrapolation.irp.f b/src/iterations/print_extrapolation.irp.f index 111429bf..a7f85693 100644 --- a/src/iterations/print_extrapolation.irp.f +++ b/src/iterations/print_extrapolation.irp.f @@ -25,7 +25,7 @@ subroutine print_extrapolated_energy write(*,*) 'minimum PT2 ', 'Extrapolated energy' write(*,*) '=========== ', '===================' do k=2,N_iter_p - write(*,'(F11.4,2X,F18.8)') pt2_iterations(1,k), extrapolated_energy(k,1) + write(*,'(F11.4,2X,F18.8)') pt2_iterations(1,N_iter_p+1-k), extrapolated_energy(k,1) enddo write(*,*) '=========== ', '==================='