Units

Atomli’s Python boundary uses angstrom for length, electronvolt for energy, and femtosecond for time. Atomic units stay inside the native implementation.

Time values

from atomli.md.verlet import VelocityVerlet
from atomli.units import fs

dyn = VelocityVerlet(atoms, timestep=0.5 * fs)

Common derived units

• Forces: electronvolt per angstrom
• Stress: electronvolt per cubic angstrom
• Temperature input: kelvin where the parameter name ends in _K

Keep unit conversions at system boundaries and label stored results explicitly.