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ASE-DB(1) User Commands ASE-DB(1)

NAME

ase-db - Put stuff into or query database

DESCRIPTION

Please use "ase db" instead of "ase-db" usage: ase db [-h] [-v] [-q] [-n] [-l] [-i db-name] [-a filename]

[-k key1=val1,key2=val2,...] [-L N] [--offset N] [--delete] [--delete-keys key1,key2,...] [-y] [--explain] [-c col1,col2,...] [-s column] [--cut CUT] [-p x,y1,y2,...] [-P name] [--csv] [-w] [--no-lock-file] [--analyse] [-j] [-m] [--set-metadata something.json] [-M something.py] [--unique] database [query [query ...]]

Selection is a comma-separated list of selections where each selection is of the type "ID", "key" or "key=value". Instead of "=", one can also use "<", "<=", ">=", ">" and "!=" (these must be protected from the shell by using quotes). Special keys: id, user, calculator, age, natoms, energy, magmom, and charge. Chemical symbols can also be used to select number of specific atomic species (H, He, Li, ...). Selection examples: 'calculator=nwchem', 'age<1d', 'natoms=1', 'user=alice', '2.2<bandgap<4.1', 'Cu>=10'

positional arguments:

database query

optional arguments:

show this help message and exit

-v, --verbose

-q, --quiet

Count number of selected rows.
Long description of selected row
Insert selected rows into another database.
Add results from file.
Add key-value pairs to selected rows. Values must be numbers or strings and keys must follow the same rules as keywords.
Show only first N rows (default is 20 rows). Use --limit=0 to show all.
Skip first N rows. By default, no rows are skipped
Delete selected rows.
Delete keys for selected rows.
Say yes.
Explain query plan.
Specify columns to show. Precede the column specification with a "+" in order to add columns to the default set of columns. Precede by a "-" to remove columns. Use "++" for all.
Sort rows using column. Use -column for a descendin sort. Default is to sort after id.
Cut keywords and key-value columns after CUT characters. Use --cut=0 to disable cutting. Default is 35 characters
Example: "-p x,y": plot y row against x row. Use "-p a:x,y" to make a plot for each value of a.
Show plot from data['name'] from the selected row.
Write comma-separated-values file.
Open results in web-browser.
Don't use lock-files
Gathers statistics about tables and indices to help make better query planning choices.
Write json representation of selected row.
Show metadata as json.
Set metadata from a json file.
Use metadata from a Python file.
Give rows a new unique id when using --insert-into.
July 2017 ase-db 3.14.1