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
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
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
def is_simulation_complete(self):
base.tail(self._fname_outcar)
return True
def is_done(self):
base.tail(fname=self._fname_outcar)
def _check_outcar_files(self):
base.tail(self._fname_outcar)