From 329e198e99336185c5b5d9e281f7fa4767b03894 Mon Sep 17 00:00:00 2001 From: Andres Ortega-Guerrero <34098967+AndresOrtegaGuerrero@users.noreply.github.com> Date: Sat, 30 Nov 2024 09:28:20 +0100 Subject: [PATCH] setting periodicity options to the mapping (#960) --- 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 87d87952..b53d2b23 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])