atomistics.workflows.langevin.convert_to_acceleration

atomistics.workflows.langevin.convert_to_acceleration#

atomistics.workflows.langevin.convert_to_acceleration(forces: ndarray, masses: ndarray) → ndarray[source]#

Convert forces to accelerations.

Parameters:

  • forces (numpy.ndarray) – Per-atom forces in eV/angstrom.

  • masses (numpy.ndarray) – Per-atom masses in u.

Returns:

Per-atom accelerations in angstrom/fs^2.

Return type:

(numpy.ndarray)