This is the command ase-db that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
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.
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