From 6512d3827f48504aaf1f260b50e46a56f4ba0691 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Wed, 29 Jul 2020 14:04:16 -0500 Subject: [PATCH] e_scf printing now works for kpts --- src/hartree_fock/print_e_scf.irp.f | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/hartree_fock/print_e_scf.irp.f b/src/hartree_fock/print_e_scf.irp.f index 65e97a56..989c0b9c 100644 --- a/src/hartree_fock/print_e_scf.irp.f +++ b/src/hartree_fock/print_e_scf.irp.f @@ -7,7 +7,9 @@ subroutine run use bitmasks implicit none - call print_debug_scf_complex + !if (is_complex) then + ! call print_debug_scf_complex + !endif print*,'hf 1e,2e,total energy' print*,hf_one_electron_energy