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test
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Kisung Kang committed Jun 19, 2024
1 parent 6636446 commit 0ac79be
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion libs/lib_criteria.py
Original file line number Diff line number Diff line change
Expand Up @@ -138,7 +138,7 @@ def eval_uncert_all(
if al_type == 'energy_max':
Epot_step.append(np.array(struc_step.get_potential_energies()) - E_ref[1][zndex])
else:
print(E_ref[0])
print(E_ref)
Epot_step.append(struc_step.get_potential_energy() - E_ref[0][zndex])

F_step.append(struc_step.get_forces())
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