Hello,
My script involves:
method = NVEVelocityVerlet(
initial_velocity=ConfigurationVelocities(remove_center_of_mass_momentum=True),
max_force_threshold=10.0 * eV / Angstrom,
)
Here, "max_force_threshold=10.0 * eV / Angstrom," somehow, causes an error:
"NL.ComputerScienceUtilities.Exceptions.NLTypeError: The parameter, max_force_threshold, must be a PhysicalQuantity with units of eV/Ang."
I believe, it should normally work but it ends up with this error.
Thanks for your help in advance,