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matthewkuner committed Nov 6, 2023
1 parent 86ca261 commit 6504ced
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions pymatgen/io/validation/check_incar.py
Original file line number Diff line number Diff line change
Expand Up @@ -207,12 +207,11 @@ def _check_electronic_params(reasons, parameters, incar, valid_input_set, calcs_
f"INPUT SETTINGS --> NELECT: set to {cur_nelect}, but this causes the structure to have a charge of {cur_charge}. "
f"NELECT should be set to {cur_nelect + cur_charge} instead."
)
except:
except Exception:
reasons.append(
f"INPUT SETTINGS --> NELECT / POTCAR: issue checking whether NELECT was changed to make the structure have a non-zero charge. "
"INPUT SETTINGS --> NELECT / POTCAR: issue checking whether NELECT was changed to make the structure have a non-zero charge. "
"This is likely due to the directory not having a POTCAR file."
)

# default_nelect = _get_default_nelect(structure, valid_input_set, potcar=potcar)
# _check_required_params(reasons, parameters, "NELECT", default_nelect, default_nelect)

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