dynamics

Functions to calculate dynamic properties.

This module can be called from mdtools via the shortcut dyn:

import mdtools as mdt
mdt.dyn  # insetad of mdt.dynamics

Functions

correct_intermittency

Correct for intermittent behavior of discrete variables stored in a sequence of arrays.

correct_intermittency_1d

Correct for intermittent behavior of discrete variables stored in a 1-dimensional array.

msd

Mean square displacement (MSD) as fuction of time according to the Einstein relation:

msd_non_diffusive

Non-diffusive Mean Square Displacement (MSD) as fuction of time.

n_restarts

Get the number of restarting points for each lag time.

replace_short_sequences

Replace consecutive occurrences of the same value that are shorter than a given minimum length by a given value.

replace_short_sequences_global

Replace consecutive occurrences of the same value that are shorter than a given minimum length by a given value at any location of the arrays.