handle_rss_trajectory#
- autoplex.data.common.utils.handle_rss_trajectory(traj_path, remove_traj_files)[source]#
Handle trajectory and associated information.
- Parameters:
traj_path (list | None) – A list of dictionaries containing trajectory information. Each dictionary should have keys ‘traj_path’ and ‘pressure’. If None, an empty list will be used.
remove_traj_files (bool) – Whether to remove the directories containing trajectory files after processing them. Default is False.
- Returns:
- atoms: list
A list of ASE Atoms objects read from the trajectory files.
- pressures: list
A list of pressure values corresponding to the atoms.
- Return type:
tuple