From 862a1804a4e7e3081771f8e0b9007ba750712a6f Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 24 Oct 2020 14:11:04 +0200 Subject: [PATCH] Fixed Maxloc --- src/cipsi/selection.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cipsi/selection.irp.f b/src/cipsi/selection.irp.f index 00ac915e..08595aea 100644 --- a/src/cipsi/selection.irp.f +++ b/src/cipsi/selection.irp.f @@ -815,7 +815,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d stop -1 endif pt2_matrix = dabs(pt2_matrix) - iwork(1:N_states) = maxloc(pt2_matrix,1) + iwork(1:N_states+1) = maxloc(pt2_matrix,DIM=1) do k=1,N_states e_pert(iwork(k)) = eigvalues(k) - E0(iwork(k)) enddo