narupatools.frame.hdf5.writer

Writer for the NarupaTools HDF5 format.

Functions

add_hdf5_writer

Add an HDF5 Writer to interactive dynamics.
narupatools.frame.hdf5.writer.add_hdf5_writer(dynamics: narupatools.imd.dynamics.InteractiveSimulationDynamics, *, filename: str, title: Optional[str] = None, author: Optional[str] = None, write_velocities: bool = True, overwrite_existing: bool = False) → narupatools.frame.hdf5.writer.HDF5Writer

Add an HDF5 Writer to interactive dynamics.

Parameters

  • dynamics – Dynamics to attach this writer to.

  • filename – Filename to write to.

  • title – Optional title for this trajectory.

  • author – Optional author to store with the trajectory.

  • write_velocities – Should this writer write velocities?

  • overwrite_existing – Should an existing file be overwritten?

Returns

HDF5 writer that is listening to the trajectory.

Classes

HDF5Writer(filename, *, title, author, …)

Writer for HDF5 trajectory containing interactive forces.