pwtools.crys.distances_traj¶
- pwtools.crys.distances_traj(traj, pbc=False)[source]¶
Cartesian distances along a trajectory.
Wrapper for _flib.distances_traj().
- Parameters:
traj (Trajectory)
pbc (bool) – Use minimum image distances.
- Returns:
dists
- Return type:
(nstep, natoms, natoms)