class matlantis_features.features.md.md_simulation_base.MDSimulationBase#

Bases: object

Base class for MD simulator.

Methods

__init__()

run(n_run_steps)

Run the MD simulation.

__init__()#
run(n_run_steps: int) None#

Run the MD simulation.

Parameters

n_run_steps (int) – Number of the simulation steps to run.