fake_run_aims

atomate2.utils.testing.aims.fake_run_aims(ref_path, input_settings=None, check_inputs=_VFILES, clear_inputs=False)[source]

Emulate running aims and validate aims input files.

Parameters:

  • ref_path (str | Path) – Path to reference directory with aims input files in the folder named ‘inputs’ and output files in the folder named ‘outputs’.

  • input_settings (Sequence[str] | None) – A list of input settings to check.

  • check_inputs (Sequence[Literal['control.in']]) – A list of aims input files to check. Supported options are “aims.inp”

  • clear_inputs (bool) – Whether to clear input files before copying in the reference aims outputs.

Return type:

None