shnitsel.data.trajectory_grouping_params

Classes

TrajectoryGroupingMetadata

Module Contents

class TrajectoryGroupingMetadata

delta_t_in_fs: float | None

input_format_name: str | None

input_format_version: str | None

est_level: str | None

theory_basis_set: str | None

charge_in_e: float | None

num_states: int | None