From 40014949a8888ccdee3f3a62243b57a4507f3831 Mon Sep 17 00:00:00 2001 From: AndresOrtegaGuerrero Date: Fri, 29 Nov 2024 08:15:19 +0000 Subject: [PATCH] setting periodicity options to the mapping --- src/aiidalab_qe/common/widgets.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/aiidalab_qe/common/widgets.py b/src/aiidalab_qe/common/widgets.py index 87d879526..b53d2b23d 100644 --- a/src/aiidalab_qe/common/widgets.py +++ b/src/aiidalab_qe/common/widgets.py @@ -649,10 +649,10 @@ def _reset_all_tags(self, _=None): def _select_periodicity(self, _=None): """Select periodicity.""" periodicity_options = { - "3D": (True, True, True), - "2D": (True, True, False), - "1D": (True, False, False), - "Molecule": (False, False, False), + "xyz": (True, True, True), + "xy": (True, True, False), + "x": (True, False, False), + "molecule": (False, False, False), } new_structure = deepcopy(self.structure) new_structure.set_pbc(periodicity_options[self.periodicity.value])