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use nsteps attribute
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mhangaard committed Mar 2, 2020
1 parent 0dd39f5 commit 2fdd692
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion catlearn/optimize/mlneb.py
Original file line number Diff line number Diff line change
Expand Up @@ -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)
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