Esempio n. 1
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def checkLammpsSimulationForError(fname_lmps_log):
  lines = base.tail(fname = fname_lmps_log, n_lines = 1)
  for line in lines:
    if 'Neighbor list overflow, boost neigh_modify one' in line:
      return True
  else:
    return False
Esempio n. 2
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 def check_for_errors(self, fname_lmps_log):
     lines = base.tail(fname = fname_lmps_log, n_lines = 1)
     for line in lines:
         if 'Neighbor list overflow, boost neigh_modify one' in line:
             self._has_error = True
             return True
Esempio n. 3
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def checkLammpsSimulationDone(fname_lmps_log):
  lines = base.tail(fname = fname_lmps_log, n_lines = 1)
  if 'lammps_sim_done' in  lines:
    return True
  else:
    return False
Esempio n. 4
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 def is_simulation_complete(self):
     base.tail(self._fname_outcar)
     return True
Esempio n. 5
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 def is_done(self):
     base.tail(fname=self._fname_outcar)
Esempio n. 6
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 def _check_outcar_files(self):
     base.tail(self._fname_outcar)