3.1. Library of JSON Options

The following JSON settings are available to the cape basis module and apply to each of the solvers. Most of these settings will have the same meaning for cape.pycart, cape.pyfun, and cape.pyover, although some may be superseded by modified options in those derived modules.

The template name for the baseline control file is cape.json. It can be invoked via the command-line function cape via either of the following two commands.

$ cape
$ cape -f cape.json

Similarly, the default file for pycart is pyCart.json; the default file for pyfun is pyFun.json; and the default file for pyover is pyOver.json.

A basic template for such files is shown below.

{
    // Universal Python settings
    "PythonPath": [],
    "Modules": [],
    // Special Python functions to run using API
    "InitFunction": [],
    "CaseFunction": [],

    // Commands to run at beginning of run job
    "ShellCmds": [],
    // Commands to run at beginning of batch job
    "BatchShellCmds": [],

    // Maximum number of commands to submit or run
    "nSubmit": 20,

    // File settings mask (not applicable to Windows systems)
    "umask": "0027"

    // Primary settings for iterations, phases, etc.
    "RunControl": {
        // List of phases to run
        "PhaseSequence": [0, 1],
        // Iteration minimums in each phase
        "PhaseIters": [200, 400],
        // Other local options
        "qsub": False,
        "MPI": False,
        "mpicmd": "mpiexec",
        "Resubmit": false,
        "Continue": true,
        // Special subsections
        "Environ": { },
        "ulimit": { },
        "Archive": { }
    },

    // PBS job settings
    "PBS": { },
    // Batch job PBS settings different from *PBS*
    "BatchPBS": { },

    // Surface subset and point settings
    "Config": { },

    // Data book settings
    "DataBook": { },

    // Automated Report settings
    "Report": { },

    // Run matrix settings
    "RunMatrix": {
        // List of trajectory keys
        "Keys": ["mach", "alpha", "beta"],
        // File containing conditions
        "File": "matrix.csv"
    }
}

An interactive instance of these setting scan be accessed via the following Python commands.

import cape

# Import CAPE control instance
cntl = cape.Cntl()
# Options interface
opts = cntl.opts

A detailed description of each class of options can be found in the pages that follow. The options listed on this page are top-level options of the main JSON file that are not part of any section.

Option aliases:

  • Trajectory → RunMatrix

  • nSubmit → NSubmit

Recognized options:

BatchShellCmds: {None} | list[str]

additional shell commands for batch jobs

CaseFunction: {None} | list[str]

function(s) to execute in case right before starting

InitFunction: {None} | list[str]

function(s) to run immediately after parsing JSON

ModuleNames: {None} | dict

dict of short names for imported modules

Modules: {None} | list[str]

list of Python modules to import

NSubmit: {10} | object

maximum number of jobs to submit at one time

PBS_map: {None} | dict

value of option “PBS_map”

PythonExec: {None} | str

specific Python executable to use for jobs

PythonPath: {None} | list[str]

folder(s) to add to Python path for custom modules

ShellCmds: {None} | list[str]

value of option “ShellCmds”

umask: {None} | int | str

value of option “umask”

Subsections: