md_convert_to_lammps_checked
Convert validated Materials Studio CAR/MDF files and forcefield to LAMMPS format, ensuring file integrity via SHA-256 hashes.
Instructions
Convert a hash-bound project CAR/MDF pair with a hash-bound msi2lmp forcefield.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| dry_run | No | ||
| car_path | Yes | ||
| mdf_path | Yes | ||
| car_sha256 | Yes | ||
| mdf_sha256 | Yes | ||
| output_slot | Yes | ||
| forcefield_file | Yes | ||
| idempotency_key | Yes | ||
| timeout_seconds | No | ||
| forcefield_class | Yes | ||
| forcefield_sha256 | Yes | ||
| project_directory | Yes | ||
| confirmation_token | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||