NAME

       ase-db - Put stuff into or query database

SYNOPSIS

       ase-db db-name [selection] [options]

DESCRIPTION

       Selecton 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, ...).

OPTIONS

       -h, --help
              show this help message and exit

       -v, --verbose

       -q, --quiet

       -n, --count
              Count number of selected rows.

       -l, --long
              Long description of selected row

       -i db-name, --insert-into=db-name
              Insert selected rows into another database.

       -a [type:]filename, --add-from-file=[type:]filename
              Add results from file.

       -k key1=val1,key2=val2,..., --add-key-value-pairs=key1=val1,key2=val2,...
              Add  key-value  pairs to selected rows.  Values must be numbers or strings and keys
              must follow the same rules as keywords.

       -L N, --limit=N
              Show only first N rows (default is 20 rows).  Use --limit=0 to show all.

       --offset=N
              Skip first N rows.  By default, no rows are skipped

       --delete
              Delete selected rows.

       --delete-keys=key1,key2,...
              Delete keys for selected rows.

       -y, --yes
              Say yes.

       --explain
              Explain query plan.

       -c col1,col2,..., --columns=col1,col2,...
              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.

       -s column, --sort=column
              Sort rows using column.  Use -column for a descendin  sort.   Default  is  to  sort
              after id.

       --cut=CUT
              Cut  keywords  and  key-value columns after CUT characters.  Use --cut=0 to disable
              cutting. Default is 35 characters

       -p [a,b:]x,y1,y2,..., --plot=[a,b:]x,y1,y2,...
              Example: "-p x,y": plot y row against x row. Use "-p a:x,y" to make a plot for each
              value of a.

       --csv  Write comma-separated-values file.

       -w, --open-web-browser
              Open results in web-browser.

       --no-lock-file
              Don't use lock-files

       --analyse
              Gathers  statistics  about  tables  and  indices to help make better query planning
              choices.

       -j, --json
              Write json representation of selected row.

       --unique
              Give rows a new unique id when using --insert-into.

       Selection examples:  calculator=nwchem,  age<1d,  natoms=1,  user=alice,  2.2<bandgap<4.1,
       Cu>=10.