run_lobster#

atomate2.lobster.run.run_lobster(job_type=JobType.NORMAL, lobster_cmd=SETTINGS.LOBSTER_CMD, max_errors=SETTINGS.LOBSTER_CUSTODIAN_MAX_ERRORS, scratch_dir=SETTINGS.CUSTODIAN_SCRATCH_DIR, validators=_DEFAULT_VALIDATORS, lobster_job_kwargs=None, custodian_kwargs=None)[source]#

Run Lobster.

Supports running Lobster with or without custodian (see JobType).

Parameters:

  • job_type (str or .JobType) – The job type.

  • lobster_cmd (str) – Command to run lobster.

  • max_errors (int) – Maximum number of errors.

  • scratch_dir (str or Path) – Scratch directory.

  • validators (list of .Validator) – The validators handlers used by custodian.

  • lobster_job_kwargs (dict) – Keyword arguments that are passed to LosterJob.

  • custodian_kwargs (dict) – Keyword arguments that are passed to Custodian.

Return type:

None