def restart(self, self_md):
WriteOutput.restart(self)
self.write_log_message("MD starts at {0:%Y-%m-%d %H:%M:%S}\n".format(
self.time_start))
at_start, positions, velocities = restart_md(self.file_restart)
self_md.set_elaptime(at_start)
self_md.mol.set_positions(positions)
self_md.mol.set_velocities(velocities)
def restart(self, self_md):
WriteOutput.restart(self)
self.write_log_message("MD starts at {0:%Y-%m-%d %H:%M:%S}\n".format(self.time_start))
at_start, positions, velocities = restart_md(self.file_restart)
self_md.set_elaptime(at_start)
self_md.mol.set_positions(positions); self_md.mol.set_velocities(velocities)
def restart(self, self_md):
restart_md(self_md, self.file_restart)
def restart(self, self_md):
restart_md(self_md, self.file_restart)