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setting periodicity options to the mapping (#960)
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AndresOrtegaGuerrero authored Nov 30, 2024
1 parent b265564 commit 329e198
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions src/aiidalab_qe/common/widgets.py
Original file line number Diff line number Diff line change
Expand Up @@ -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])
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