From 62c28db6da5887e3198e4491ce7671f74dc003f0 Mon Sep 17 00:00:00 2001 From: kossoski Date: Wed, 13 Apr 2022 13:32:14 +0200 Subject: [PATCH] correction --- 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 c8bc75d3..d4f184f3 100644 --- a/src/cipsi/selection.irp.f +++ b/src/cipsi/selection.irp.f @@ -729,7 +729,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d endif integer :: twice_hierarchy twice_hierarchy = degree + s/2 - if (twice_hierarchy_max > twice_hierarchy_max) cycle + if (twice_hierarchy > twice_hierarchy_max) cycle endif Hii = diag_H_mat_elem_fock(psi_det_generators(1,1,i_generator),det,fock_diag_tmp,N_int)