pwtools.crys.Trajectory.compress¶
- Trajectory.compress(forget=['forces', 'stress', 'coords', 'cryst_const'], dtype=<class 'numpy.float32'>)¶
Compress Trajectory by deleting unused or redundant attrs (see forget). Cast float arrays to dtype. float32 is usually quite OK for MD data.
- Parameters:
forget (list) – Names of attributes to delete. They will be set to None.
dtype (numpy dtype)