Skip to content

Commit

Permalink
[pre-commit.ci] auto fixes from pre-commit.com hooks
Browse files Browse the repository at this point in the history
for more information, see https://pre-commit.ci
  • Loading branch information
pre-commit-ci[bot] committed Aug 28, 2023
1 parent 702bdad commit 3812da3
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion examples/gaussian_datatypes/gdt_data.py
Original file line number Diff line number Diff line change
Expand Up @@ -74,7 +74,9 @@ def load_data(prefix="MY-"):
p.element: p
for p in Pseudo.from_cp2k(fhandle_pseudo, duplicate_handling="error")
}
except UniquenessError: # if the user already ran the script, fetch the data from the db instead
except (
UniquenessError
): # if the user already ran the script, fetch the data from the db instead
bsets = {
"H": BasisSet.get("H", f"{prefix}AUTO-DZVP-MOLOPT-GTH"),
"O": BasisSet.get("O", f"{prefix}AUTO-DZVP-MOLOPT-SR-GTH"),
Expand Down

0 comments on commit 3812da3

Please sign in to comment.