示例#1
0
 def load_from_cif(self, filename, oxidations, cation="Li"):
     s = Structure.from_file(os.path.join(module_dir, filename))
     s.add_oxidation_state_by_element(oxidations)
     return BatteryAnalyzer(s, cation)
示例#2
0
 def load_from_internal(self, name, oxidations, cation="Li"):
     s = self.get_structure(name).copy()
     s.add_oxidation_state_by_element(oxidations)
     return BatteryAnalyzer(s, cation)
示例#3
0
 def load_from_cif(self, filename, oxidations, cation="Li"):
     s = Structure.from_file(os.path.join(PymatgenTest.TEST_FILES_DIR, filename))
     s.add_oxidation_state_by_element(oxidations)
     return BatteryAnalyzer(s, cation)