Simulations

Details

Tensile simulation class.

class flowermd.library.simulations.tensile.Tensile(*args: Any, **kwargs: Any)

Bases: Simulation

Tensile simulation class.

Parameters:

tensile_axis (tuple of int, required) – The axis along which to apply the tensile strain.
fix_ratio (float, default=0.20) – The ratio of the box length to fix particles at each end of the tensile axis.

run_tensile(strain, n_steps, kT, tau_kt, period)

Run a tensile test simulation.

Parameters:

strain (float, required) – The strain to apply to the simulation.
n_steps (int, required) – The number of steps to run the simulation for.
tau_kt (float, required) – Thermostat coupling period (in simulation time units).
period (int, required) – The period of the strain application.