Hotfix/mlneb nsteps (#88)

* use nsteps attribute * upgrade werkzeug
SUNCAT-Center · Mar 2, 2020 · 0a836fa · 0a836fa
1 parent 0dd39f5
commit 0a836fa
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diff --git a/Pipfile.lock b/Pipfile.lock
diff --git a/catlearn/optimize/mlneb.py b/catlearn/optimize/mlneb.py
@@ -384,7 +384,7 @@ def run(self, fmax=0.05, unc_convergence=0.050, steps=500,
  prev_save_positions.append(i.get_positions())
 
  neb_opt.run(fmax=(fmax * 0.85), steps=1)
- neb_opt.steps = 0
+ neb_opt.nsteps = 0
 
  n_steps_performed += 1
  get_results_predicted_path(self)