atomate.common.firetasks package

Submodules

atomate.common.firetasks.glue_tasks module

atomate.common.firetasks.parse_outputs module

atomate.common.firetasks.run_calc module

class atomate.common.firetasks.run_calc.RunCommand(*args, **kwargs)

Bases: fireworks.core.firework.FiretaskBase

Execute a command directly (no custodian).

Required params:
cmd (str): the name of the full executable to run. Supports env_chk.
Optional params:
expand_vars (str): Set to true to expand variable names in the cmd.
optional_params = ['expand_vars']
required_params = ['cmd']
run_task(fw_spec)
class atomate.common.firetasks.run_calc.RunCustodianFromObjects(*args, **kwargs)

Bases: fireworks.core.firework.FiretaskBase

Run VASP using custodian in a generic manner using built-in custodian objects

Required params:
jobs: ([Job]) - a list of custodian jobs to run handlers: ([ErrorHandler]) - a list of error handlers
Optional params:
validators: ([Validator]) - a list of Validators custodian_params ({}) - dict of all other custodian parameters
optional_params = ['validators', 'custodian_params']
required_params = ['jobs', 'handlers']
run_task(fw_spec)

Module contents