From 636caeca621c5930adad7d2b1a5c1c068c0f2ebb Mon Sep 17 00:00:00 2001 From: foxtran <39676482+foxtran@users.noreply.github.com> Date: Tue, 4 Feb 2025 22:58:03 +0100 Subject: [PATCH] Fix multiple open of xtbscreen.xyz in local.f90 (xtb/iff test) (#1167) Signed-off-by: Igor S. Gerasimov --- src/local.f90 | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/src/local.f90 b/src/local.f90 index 3b81dbdaa..733b9aa52 100644 --- a/src/local.f90 +++ b/src/local.f90 @@ -494,14 +494,12 @@ subroutine local(nat,at,nbf,nao,ihomo,xyz,z,focc,s,p,cmo,eig,q,etot,gbsa,basis,r enddo enddo new=k - - if(set%pr_local) then - call close_file(iscreen) - end if deallocate(wbo) - endif + + if(set%pr_local) call close_file(iscreen) + !ccccccccccccccccccccccccccccccccccccccccccccccccccccccc !> If the normal xtb mode is used with --lmo, set%pr_local is true and