cmd

cmd

Functions for starting KIMMDY either from python or the command line. Other entry points such as kimmdy-analysis also live here.

Functions

Name Description
entry_point_kimmdy Run KIMMDY from the command line.
get_cmdline_args Parse command line arguments.
kimmdy_run Run KIMMDY from python.

entry_point_kimmdy

cmd.entry_point_kimmdy()

Run KIMMDY from the command line.

The configuration is gathered from the input file, which is kimmdy.yml by default. See get_cmdline_args or kimmdy --help for the descriptions of the arguments.

get_cmdline_args

cmd.get_cmdline_args()

Parse command line arguments.

Returns

Name Type Description
Parsed command line arguments

kimmdy_run

cmd.kimmdy_run(
    input=Path('kimmdy.yml'),
    loglevel=None,
    logfile=None,
    show_plugins=False,
    generate_jobscript=False,
    debug=False,
    callgraph=False,
    restart=False,
)

Run KIMMDY from python.

Also see See get_cmdline_args or kimmdy --help for the descriptions of the arguments.

Parameters

Name Type Description Default
input Path kimmdy input yml file. Path('kimmdy.yml')
loglevel Optional[str] Loglevel. One of [“INFO”, “WARNING”, “MESSAGE”, “DEBUG”] None
logfile Optional[Path] File path of the logfile. None
show_plugins bool Show available plugins and exit. False
generate_jobscript bool Instead of running KIMMDY directly, generate at jobscript.sh for slurm HPC clusters. False
debug bool on error, drop into debugger. False
callgraph bool Generate visualization of function calls. Mostly useful for debugging and documentation. False
restart bool Restart from a previous run instead of incrementing the run number for the output directory. False
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