From 4ce4fc45c44c3885b5f8f137ccb97b2a8d25af08 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 0f2c155e8..82e8ced38 100644 --- a/aiida_fleur/workflows/scf.py +++ b/aiida_fleur/workflows/scf.py @@ -722,6 +722,10 @@ def get_res(self): 'Assuming that the calculatin should be continued') self.ctx.last_nmmp_distance = self.ctx.wf_dict['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