Esempio n. 1
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 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)
Esempio n. 2
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 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)
Esempio n. 3
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 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)