viperleed bookkeeper

The command viperleed bookkeeper manually invokes the bookkeeper.

The bookkeeper runs automatically runs in default mode before and in continuation mode after a calculation. See the bookkeeper page for details.

The bookkeeper can also be run manually with viperleed bookkeeper. It can safely be run multiple times. If no new output is detected, it will simply exit without doing anything.

Usage

viperleed bookkeeper [--help] [--version] [-c | -d] [-j JOB_NAME]
                     [--history-name HISTORY_NAME]
                     [--work-history-name WORK_HISTORY_NAME]

or

python -m viperleed bookkeeper ...
python -m viperleed.calc.bookkeeper ...

Named Arguments

--version

Print version number.

-c, --cont

Overwrite POSCAR and VIBROCC with POSCAR_OUT and VIBROCC_OUT from the OUT folder, if present.

See also Bookkeeper.

-d, --discard

Discard all results from the last run, as if it had not happened, and do not add anything to history or history.info. Note that this will not necessarily restore modified input files in the main folder.

See also Bookkeeper.

-j, --job-name

Define a string to be appended to the name of the history folder that is created, and is logged in history.info.

--history-name

Define the name of the history folder that is created/used. Default is ‘history’.

Default: 'history'

--work-history-name

Define the name of the workhistory folder that is created/used. Default is ‘workhistory’.

Default: 'workhistory'