ms_prepare_castep_standalone_inputs
Prepare hash-bound, execution-blocked .cell/.param files for standalone CASTEP, enabling reproducible and auditable input preparation.
Instructions
Prepare hash-bound, execution-blocked .cell/.param files for standalone CASTEP.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cores | No | ||
| dry_run | No | ||
| input_xsd | Yes | ||
| input_sha256 | Yes | ||
| calculation_name | Yes | ||
| output_directory | Yes | ||
| standalone_context | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||