pybec.parsers.get_full_dipole

pybec.parsers.get_full_dipole(directory, remove_dupes=True)

Gets the trajectory of the polarization.

Parameters

• directory (str) – The path to a directory containing all of the output files to parse for polarization data.

• remove_dupes (bool) – If true, keep only one of each step number, the one from the last file it occurs in.

Returns

Nx2 array with the first column containing the time and second column containing the overall polarization. Duplicate timesteps are removed during processing.

Return type

numpy.ndarray