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ASE: Update defaults for langevin #206

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ASE: Update defaults for langevin #206

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2 changes: 1 addition & 1 deletion atomistics/calculators/ase.py
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Original file line number Diff line number Diff line change
Expand Up @@ -156,7 +156,7 @@ def calc_molecular_dynamics_langevin_with_ase(
thermo=100,
timestep=1 * units.fs,
temperature=100,
friction=0.002,
friction=0.01 / units.fs,
output_keys=OutputMolecularDynamics.keys(),
):
return _calc_molecular_dynamics_with_ase(
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