From 74ab2c0ace6ea0ff2f16ade09eebc11bd1f24478 Mon Sep 17 00:00:00 2001 From: janssenhenning Date: Tue, 5 Jul 2022 00:01:36 +0200 Subject: [PATCH] Fix rebase --- aiida_fleur/workflows/scf.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/aiida_fleur/workflows/scf.py b/aiida_fleur/workflows/scf.py index 6f1053e58..a21e86502 100644 --- a/aiida_fleur/workflows/scf.py +++ b/aiida_fleur/workflows/scf.py @@ -727,6 +727,10 @@ def get_res(self): 'Assuming that the calculatin should be continued') self.ctx.last_nmmp_distance = self.ctx.wf_dict.get('nmmp_converged') + 1 + if self.ctx.hubbard1_occ_distance: + self.ctx.last_hubbard1_occ_distance = self.ctx.hubbard1_occ_distance[-1] + self.ctx.last_hubbard1_elem_distance = self.ctx.hubbard1_elem_distance[-1] + def condition(self): """ check convergence condition