Added support for structures that are not periodic in all three spati…

…al dimensions.
Materials-Consortia · Aug 26, 2022 · c50d8b3 · c50d8b3
1 parent e7de5f4
commit c50d8b3
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/optimade/adapters/structures/pymatgen.py b/optimade/adapters/structures/pymatgen.py
@@ -19,7 +19,7 @@
 
 
 try:
-    from pymatgen.core import Structure, Molecule, Composition
+    from pymatgen.core import Structure, Molecule, Composition, Lattice
 
 except (ImportError, ModuleNotFoundError):
     from warnings import warn
@@ -76,7 +76,7 @@ def _get_structure(optimade_structure: OptimadeStructure) -> Structure:
     attributes = optimade_structure.attributes
 
     return Structure(
-        lattice=attributes.lattice_vectors,
+        lattice=Lattice(attributes.lattice_vectors, attributes.dimension_types),
         species=_pymatgen_species(
             nsites=attributes.nsites,
             species=attributes.species,