Mean-Square Displacement¶
- class halmd.observables.dynamics.mean_square_displacement(args)¶
Construct mean-square displacement.
- Parameters:
args – keyword arguments
args.phase_space – instance of
halmd.observables.phase_space
- acquire()¶
Acquire phase space position sample.
- Returns:
phase space position sample
- correlate(first, second)¶
Correlate two phase space samples.
- Parameters:
first – first phase space sample
second – second phase space sample
- Returns:
mean-square displacement between samples
- desc¶
Module description.
- class writer(args)¶
Construct file writer.
- Parameters:
args (table) – keyword arguments
args.file – instance of file writer
args.location (string table) – location within file (optional)
- Returns:
file writer as returned by
file:writer().
The argument
locationspecifies a path in a structured file format like H5MD given as a table of strings. It defaults to{"dynamics", self.label, "mean_square_displacement"}.