def set_initial_velocities(self, distribution, energy): distribution(self.atoms, energy) try: os.remove(self.traj) except: pass try: os.remove(self._log) except: pass VelocityVerlet.__init__(self, atoms=self.atoms, timestep=self.dt, trajectory=self.traj, loginterval=1, logfile=self._log, append_trajectory=False) self.update_properties()