pymatgen namespace

Subpackages

• pymatgen.db package
  • Subpackages
    • pymatgen.db.alchemy package
      • Subpackages
      • Submodules
      • pymatgen.db.alchemy.transmuters module
        • QeTransmuter
      • Module contents
  • Submodules
  • pymatgen.db.config module
    • ConfigurationFileError
    • DBConfig
      • DBConfig.ALL_SETTINGS
      • DBConfig.DEFAULT_FILE
      • DBConfig.DEFAULT_PORT
      • DBConfig.DEFAULT_SETTINGS
      • DBConfig.collection
      • DBConfig.copy()
      • DBConfig.dbname
      • DBConfig.host
      • DBConfig.password
      • DBConfig.port
      • DBConfig.settings
      • DBConfig.user
    • auth_aliases()
    • get_settings()
    • normalize_auth()
  • pymatgen.db.creator module
    • VaspToDbTaskDrone
      • VaspToDbTaskDrone.as_dict()
      • VaspToDbTaskDrone.assimilate()
      • VaspToDbTaskDrone.calculate_stability()
      • VaspToDbTaskDrone.convert()
      • VaspToDbTaskDrone.from_dict()
      • VaspToDbTaskDrone.generate_doc()
      • VaspToDbTaskDrone.get_task_doc()
      • VaspToDbTaskDrone.get_valid_paths()
      • VaspToDbTaskDrone.post_process()
      • VaspToDbTaskDrone.process_killed_run()
      • VaspToDbTaskDrone.process_vasprun()
    • contains_vasp_input()
    • get_basic_analysis_and_error_checks()
    • get_coordination_numbers()
    • get_uri()
  • pymatgen.db.matproj module
    • MPDB
      • MPDB.create()
      • MPDB.get_entries_in_chemsys()
  • pymatgen.db.query_engine module
    • QueryEngine
      • QueryEngine.ALIASES_CONFIG_KEY
      • QueryEngine.COLLECTION_KEY
      • QueryEngine.DB_KEY
      • QueryEngine.HOST_KEY
      • QueryEngine.PASSWORD_KEY
      • QueryEngine.PORT_KEY
      • QueryEngine.USER_KEY
      • QueryEngine.aliases
      • QueryEngine.close()
      • QueryEngine.collection_name
      • QueryEngine.default_criteria
      • QueryEngine.default_properties
      • QueryEngine.ensure_index()
      • QueryEngine.from_config()
      • QueryEngine.get_dos_from_id()
      • QueryEngine.get_entries()
      • QueryEngine.get_entries_in_system()
      • QueryEngine.get_structure_from_id()
      • QueryEngine.query()
      • QueryEngine.query_one()
      • QueryEngine.query_post
      • QueryEngine.result_post
      • QueryEngine.set_aliases_and_defaults()
    • QueryError
    • QueryListResults
      • QueryListResults.clone()
    • QueryResults
      • QueryResults.clone()
      • QueryResults.from_cursor()
  • pymatgen.db.util module
    • MongoJSONEncoder
      • MongoJSONEncoder.default()
    • collection_keys()
    • get_collection()
    • get_database()
    • get_settings()
  • Module contents