Home
last modified time | relevance | path

Searched refs:get_symmetrized_structure (Results 1 – 18 of 18) sorted by relevance

/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/defects/
H A Dgenerators.py73 self.symm_structure = sga.get_symmetrized_structure()
117 self.symm_structure = sga.get_symmetrized_structure()
226 equiv_sites_list = symmetry_finder.get_symmetrized_structure().equivalent_sites
H A Dcore.py189 periodic_struc = sga.get_symmetrized_structure()
283 periodic_struc = sga.get_symmetrized_structure()
406 periodic_struc = sga.get_symmetrized_structure()
H A Dutils.py844 symm_structure = finder.get_symmetrized_structure()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/cli/
H A Dpmg_plot.py66 sites = [sites[0] for sites in finder.get_symmetrized_structure().equivalent_sites]
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/symmetry/tests/
H A Dtest_analyzer.py144 symm_struct = self.sg.get_symmetrized_structure()
149 symm_struct = self.disordered_sg.get_symmetrized_structure()
155 self.assertEqual(self.sg4.get_symmetrized_structure()[0].magmom, 0.1)
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/magnetism/
H A Djahnteller.py130 symmetrized_structure = SpacegroupAnalyzer(structure).get_symmetrized_structure()
H A Danalyzer.py501 symm_structure = sga.get_symmetrized_structure()
841 structure_sym = sga.get_symmetrized_structure()
H A Dheisenberg.py164 symm_s0 = SpacegroupAnalyzer(s0).get_symmetrized_structure()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/xas/
H A Dspectrum.py263 ss = sa.get_symmetrized_structure()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/command_line/
H A Denumlib_caller.py160 symmetrized_structure = fitter.get_symmetrized_structure()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/
H A Dsurface.py228 symm_structure = a.get_symmetrized_structure()
568 ucell = a.get_symmetrized_structure()
689 slabcopy = SpacegroupAnalyzer(self.copy()).get_symmetrized_structure()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/
H A Dbond_valence.py256 symm_structure = finder.get_symmetrized_structure()
H A Dstructure_analyzer.py621 symm_structure = finder.get_symmetrized_structure()
H A Dadsorption.py579 sym_slab = SpacegroupAnalyzer(self.slab).get_symmetrized_structure()
H A Dpiezo_sensitivity.py127 symstruc = symstruc.get_symmetrized_structure()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/
H A Dcif.py1391 for sites in sf.get_symmetrized_structure().equivalent_sites
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/symmetry/
H A Danalyzer.py276 def get_symmetrized_structure(self): member in SpacegroupAnalyzer
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/chemenv/coordination_environments/
H A Dcoordination_geometry_finder.py475 self.symmetrized_structure = self.spg_analyzer_refined.get_symmetrized_structure()