compare_models
Compares DFT, MACE, and RuNNer model energy and force arrays, requiring matching ordered common-test record IDs before verification.
Instructions
Compare model arrays only when ordered common-test record IDs match.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| record_ids | Yes | ||
| dft_energy_eV | Yes | ||
| mace_energy_eV | Yes | ||
| mace_record_ids | Yes | ||
| runner2_energy_eV | Yes | ||
| migration_path_ids | No | ||
| runner2_record_ids | Yes | ||
| mace_migration_path_ids | No | ||
| dft_migration_profiles_eV | No | ||
| dft_forces_eV_per_angstrom | No | ||
| mace_migration_profiles_eV | No | ||
| runner2_migration_path_ids | No | ||
| mace_forces_eV_per_angstrom | No | ||
| runner2_migration_profiles_eV | No | ||
| runner2_forces_eV_per_angstrom | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||