Index

Symbols

--alias mgvv command line option --collection mgvv command line option --config mgvv command line option --db mgvv-diff command line option --email mgvv command line option mgvv-diff command line option --email-server mgvv-diff command line option --file mgvv command line option mgvv-diff command line option --format mgvv command line option mgvv-diff command line option --help mgvv command line option mgvv-diff command line option --info mgvv-diff command line option --key mgvv-diff command line option --limit mgvv command line option --missing mgvv-diff command line option --numeric mgvv-diff command line option --print mgvv-diff command line option --properties mgvv-diff command line option --query mgvv-diff command line option --url mgvv-diff command line option --verbose mgvv command line option mgvv-diff command line option

-a mgvv command line option -C mgvv command line option -c mgvv command line option -D mgvv-diff command line option -E mgvv-diff command line option -e mgvv command line option -F mgvv command line option mgvv-diff command line option -f mgvv command line option mgvv-diff command line option -h mgvv command line option mgvv-diff command line option -i mgvv-diff command line option -k mgvv-diff command line option -m mgvv command line option mgvv-diff command line option -n mgvv-diff command line option -P mgvv-diff command line option -p mgvv-diff command line option -q mgvv-diff command line option -s mgvv-diff command line option -u mgvv-diff command line option -v mgvv command line option mgvv-diff command line option

A

aliases (QueryEngine attribute) ALIASES_CONFIG_KEY (QueryEngine attribute) ALL_SETTINGS (DBConfig attribute)

as_dict() (VaspToDbTaskDrone method) assimilate() (VaspToDbTaskDrone method) auth_aliases() (in module pymatgen.db.config)

C

calculate_stability() (VaspToDbTaskDrone method) clone() (QueryListResults method) (QueryResults method) close() (QueryEngine method) collection (DBConfig property) COLLECTION_KEY (QueryEngine attribute)

collection_keys() (in module pymatgen.db.util) collection_name (QueryEngine property) ConfigurationFileError contains_vasp_input() (in module pymatgen.db.creator) convert() (VaspToDbTaskDrone method) copy() (DBConfig method) create() (MPDB method)

D

DB_KEY (QueryEngine attribute) DBConfig (class in pymatgen.db.config) dbname (DBConfig property) default() (MongoJSONEncoder method)

default_criteria (QueryEngine attribute) DEFAULT_FILE (DBConfig attribute) DEFAULT_PORT (DBConfig attribute) default_properties (QueryEngine attribute) DEFAULT_SETTINGS (DBConfig attribute)

E

ensure_index() (QueryEngine method)

F

from_config() (QueryEngine static method)

from_cursor() (QueryResults method) from_dict() (VaspToDbTaskDrone class method)

G

generate_doc() (VaspToDbTaskDrone method) get_basic_analysis_and_error_checks() (in module pymatgen.db.creator) get_collection() (in module pymatgen.db.util) get_coordination_numbers() (in module pymatgen.db.creator) get_database() (in module pymatgen.db.util) get_dos_from_id() (QueryEngine method) get_entries() (QueryEngine method)

get_entries_in_chemsys() (MPDB method) get_entries_in_system() (QueryEngine method) get_settings() (in module pymatgen.db.config) (in module pymatgen.db.util) get_structure_from_id() (QueryEngine method) get_task_doc() (VaspToDbTaskDrone method) get_uri() (in module pymatgen.db.creator) get_valid_paths() (VaspToDbTaskDrone method)

H

host (DBConfig property)

HOST_KEY (QueryEngine attribute)

M

mgvv command line option --alias --collection --config --email --file --format --help --limit --verbose -a -C -c -e -f -F -h -m -v mgvv-diff command line option --db --email --email-server --file --format --help --info --key --missing --numeric --print --properties --query --url --verbose -D -E -f -F -h -i -k -m -n -p -P -q -s -u -v

module pymatgen pymatgen.db pymatgen.db.alchemy pymatgen.db.alchemy.transmuters pymatgen.db.config pymatgen.db.creator pymatgen.db.matproj pymatgen.db.query_engine pymatgen.db.util MongoJSONEncoder (class in pymatgen.db.util) MPDB (class in pymatgen.db.matproj)

N

normalize_auth() (in module pymatgen.db.config)

P

password (DBConfig property) PASSWORD_KEY (QueryEngine attribute) port (DBConfig property) PORT_KEY (QueryEngine attribute) post_process() (VaspToDbTaskDrone method) process_killed_run() (VaspToDbTaskDrone method) process_vasprun() (VaspToDbTaskDrone method) pymatgen module pymatgen.db module pymatgen.db.alchemy module

pymatgen.db.alchemy.transmuters module pymatgen.db.config module pymatgen.db.creator module pymatgen.db.matproj module pymatgen.db.query_engine module pymatgen.db.util module

Q

QeTransmuter (class in pymatgen.db.alchemy.transmuters) query() (QueryEngine method) query_one() (QueryEngine method) query_post (QueryEngine attribute)

QueryEngine (class in pymatgen.db.query_engine) QueryError QueryListResults (class in pymatgen.db.query_engine) QueryResults (class in pymatgen.db.query_engine)

R

result_post (QueryEngine attribute)

S

set_aliases_and_defaults() (QueryEngine method)

settings (DBConfig property)

U

user (DBConfig property)

USER_KEY (QueryEngine attribute)

V

VaspToDbTaskDrone (class in pymatgen.db.creator)