viperleed bookkeeper
The command viperleed bookkeeper manually invokes the
bookkeeper.
The bookkeeper runs automatically in --clear mode before
and in --archive 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] [-a | -c | -d | -df | --fix] [-y]or
python -m viperleed bookkeeper ... python -m viperleed.calc.bookkeeper ...Named Arguments
- --version
Print version number.
- -a, --archive
Store the last run in history. Overwrite PARAMETERS, POSCAR, and VIBROCC from OUT. Runs after viperleed.calc by default.
- -c, --clear
Add the last run to history if not already there, then remove its outputs from the current directory. 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.
- -df, --discard-full
Discard all results from the last run as if it never happened. The discarded run is removed from history.
- --fix
Automatically fix problems found in the history directory and in the history.info file. This mode can be used, for example, to upgrade the state of your history to the format of the most recent version of the bookkeeper.
- -y
Automatically reply “yes” to all requests for user confirmation.
Changed in version 0.12.0: bookkeeper now runs automatically in --cont mode after
viperleed.calc (in addition to running before viperleed.calc, in “default” mode).
Changed in version 0.12.0: The --name command-line argument was renamed to --job-name.
Added in version 0.12.0: The --history-name and --work-history-name command-line
arguments. These arguments were removed again in v0.13.0.
Added in version 0.13.0: The -a/--archive, -c/--clear, -df/--discard-full,
--fix, and -y command-line arguments.
Changed in version 0.13.0: The behavior of the --discard mode has been changed. The new equivalent
mode is --discard-full.
The --cont command-line argument was renamed to --archive. The
behavior was changed to keep both inputs and outputs from a calculation
in the root folder. What was previously the “default” mode can now be
executed with --clear. See the bookkeeper page
for more details.
Changed in version 0.13.0: bookkeeper automatically runs (in the same mode) in all domain subfolders when executed in the root of a multi-domain calculation.
Removed in version 0.13.0: The --job-name, --history-name, and --work-history-name
command-line arguments.