atomli.md.velocitydistribution
Generated from the public Python surface of Atomli 0.1.4.
MaxwellBoltzmannDistribution(atoms, temperature_K=300.0, rng=None)
Section titled “MaxwellBoltzmannDistribution(atoms, temperature_K=300.0, rng=None)”Maxwell-Boltzmann velocity initialization.
Stationary(atoms)
Section titled “Stationary(atoms)”Remove center-of-mass velocity.
ZeroRotation(atoms)
Section titled “ZeroRotation(atoms)”Remove angular momentum.