You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
In #1055, I had to implement a workaround in obtaining the structure/molecule symmetry group. This is due to a rigid check on PBC that only provided pymatgen Structure objects for 3D systems, Molecule otherwise. This has since been removed and is accurate in AiiDA 2.6. Once we update throughout, we can simply use orm.StructureData.get_pymatgen() to extract the correct pymatgen object.
The text was updated successfully, but these errors were encountered:
In #1055, I had to implement a workaround in obtaining the structure/molecule symmetry group. This is due to a rigid check on PBC that only provided pymatgen
Structure
objects for 3D systems,Molecule
otherwise. This has since been removed and is accurate in AiiDA 2.6. Once we update throughout, we can simply useorm.StructureData.get_pymatgen()
to extract the correct pymatgen object.The text was updated successfully, but these errors were encountered: