Fix multiple open of xtbscreen.xyz in local.f90 (xtb/iff test) (#1167)

Signed-off-by: Igor S. Gerasimov <i.s.ger@ya.ru>
grimme-lab · Feb 4, 2025 · 636caec · 636caec
1 parent 3ffabb3
commit 636caec
Showing 1 changed file with 3 additions and 5 deletions.
diff --git 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