Searched refs:get_primitive_structure (Results 1 – 14 of 14) sorted by relevance
300 structure = structure.get_primitive_structure(use_site_props=True)374 structure = structure.get_primitive_structure(use_site_props=True)394 structure = structure.get_primitive_structure()416 structure = structure.get_primitive_structure(use_site_props=True)762 input_structure = input_structure.get_primitive_structure(use_site_props=False)
122 structure = structure.get_primitive_structure()
372 self.assertEqual(len(fcc_ag.get_primitive_structure()), 1)375 bcc_prim = bcc_li.get_primitive_structure()379 bcc_prim = bcc_li.get_primitive_structure()382 bcc_prim = bcc_li.get_primitive_structure(use_site_props=True)388 self.assertEqual(len(s.get_primitive_structure()), 4)395 dm = s.get_primitive_structure().distance_matrix402 fcc_ag_prim = fcc_ag.get_primitive_structure()417 prim = sc.get_primitive_structure(0.01)433 sprim = s.get_primitive_structure(tolerance=0.1)954 self.assertEqual(len(s.get_primitive_structure()), 1)[all …]
145 self.zno55.get_primitive_structure()
193 primstruct=struct.get_primitive_structure()
674 struct1 = struct1.get_primitive_structure()675 struct2 = struct2.get_primitive_structure()
1114 struct = struct.get_primitive_structure(use_site_props=True)1116 struct = struct.get_primitive_structure()
730 return structure.get_primitive_structure(tolerance=self.tolerance)
990 prim = slab.get_primitive_structure(tolerance=tol)1000 ouc = ouc.get_primitive_structure(
1889 def get_primitive_structure( member in IStructure2072 p = s.get_primitive_structure(
331 alls = trans.apply_transformation(self.NiO.get_primitive_structure(), return_ranked_list=10)
140 structures = [s.get_primitive_structure() for s in structures]323 if primitive: new = new.get_primitive_structure()
103 self.NiO = Structure.from_spacegroup(225, latt, species, coords).get_primitive_structure()
611 …primitive = structure.get_primitive_structure(tolerance=0.25, use_site_props=False, constrain_latt…