MultiMDOutput

pydantic model atomate2.vasp.schemas.md.MultiMDOutput

Output of a MultiMD Flow.

field structure: Structure = 'Final structure of the last step of the flow'

field vasp_dir: str = 'Path to the last vasp folder of the flow'

field traj_ids: list[str] = 'List of uuids of the MD calculations in the flow'

field full_traj_ids: list[str] = 'List of uuids of the MD calculations in the flow and in previous linked flows'