pwtools.crys.distances_traj

pwtools.crys.distances_traj(traj, pbc=False)

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)