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atomli.md.langevin

Generated from the public Python surface of Atomli 0.1.4.

Langevin(atoms, timestep, temperature_K=300.0, friction=0.01, trajectory=None, logfile=None, loginterval=1)

Section titled “Langevin(atoms, timestep, temperature_K=300.0, friction=0.01, trajectory=None, logfile=None, loginterval=1)”

Langevin NVT dynamics.

attach(self, /, function, interval=1, *args, **kwargs)

Section titled “attach(self, /, function, interval=1, *args, **kwargs)”

call_observers(self, /)

Section titled “call_observers(self, /)”

run(self, /, steps=50)

Section titled “run(self, /, steps=50)”