update db function with gulp calculation with fixed code

pyxtal/db.py

@@ -875,7 +875,7 @@ def update_row_ff_energy(self, ff='reaxff', ids=(None, None), ncpu=1,
  if status:
  gulp_results.append((id, xtal, eng))
  if len(gulp_results) >= write_freq:
- self._update_db_gulp(gulp_results)
+ self._update_db_gulp(gulp_results, ff)
  gulp_results = []
  else:
  if len(ids) < ncpu: ncpu = len(ids)
@@ -892,11 +892,15 @@ def update_row_ff_energy(self, ff='reaxff', ids=(None, None), ncpu=1,
  results = [executor.submit(gulp_opt_par, *p) for p in args_list]
  for result in results:
  gulp_results.extend(result.result())
- self._update_db_gulp(gulp_results)
+ self._update_db_gulp(gulp_results, ff)
 
- def _update_db_gulp(self, gulp_results):
+ def _update_db_gulp(self, gulp_results, ff):
  """
  Update db with the gulp_results
+
+ Args:
+ gulp_results: list of (id, xtal, eng) tuples
+ ff (str): forcefield type (e.g., 'reaxff')
  """
  print("Wrap up the final results and update db", len(gulp_results))
  for gulp_result in gulp_results: