Velocity Autocorrelation Function¶
- class halmd.observables.dynamics.velocity_autocorrelation(args)¶
Construct velocity autocorrelation function.
Parameters: - args – keyword arguments
- args.phase_space – instance of halmd.observables.phase_space
- acquire()¶
Acquire phase space sample.
Returns: phase space sample
- correlate(first, second)¶
Correlate two phase space samples.
Parameters: - first – first phase space sample
- second – second phase space sample
Returns: velocity autocorrelation function 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 location specifies a path in a structured file format like H5MD given as a table of strings. It defaults to {"dynamics", self.label, "velocity_autocorrelation"}.