relentless.simulate.Record

class relentless.simulate.Record(filename, every, quantities)

Record quantities during a simulation.

This analysis operation records a time series of values during a simulation. The data associated with each quantity is stored in a data key for this operation. Additionally, the "timestep" key gives the simulation steps that the quantities were recorded at.

Parameters:

• filename (str) – Filename to record quantities to. May be set to None so that no file is written.

• every (int) – Interval of time steps at which to record values.

• quantities (str or list) –

  One or more quantities to record. Valid values are:

  • "potential_energy": Total potential energy.

  • "kinetic_energy": Total kinetic energy.

  • "temperature": Temperature.

  • "pressure": Pressure.

Methods

post_run(sim, sim_op)
pre_run(sim, sim_op)
process(sim, sim_op)

Attributes

quantities