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 [-h] [--version] [-a | -c | -d | -df] [-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.

-a, --archive

Store last run in history. Overwrite PARAMETERS, POSCAR &VIBROCC from OUT. Runs after viperleed.calc by default.

-c, --clear

Clear the input directory and add last run to history if not already there. Runs before viperleed.calc by default.

-d, --discard

Discard all results from the last run, and restore the previous inputs. The discarded run is kept in history.

See also Bookkeeper.

-df, --discard-full

Discard all results from the last run as if it never happened. The discarded run is removed from history.

-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'