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) 
Esempio n. 3
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 def restart(self, self_md):
     restart_md(self_md, self.file_restart)  
Esempio n. 4
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 def restart(self, self_md):
     restart_md(self_md, self.file_restart)