diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 7fdc6c9..164ee19 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -28,7 +28,7 @@ repos: hooks: - id: isort - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.8.6 + rev: v0.9.0 hooks: - id: ruff args: [--fix] diff --git a/pymolresponse/td.py b/pymolresponse/td.py index 3034e02..fb1ceec 100644 --- a/pymolresponse/td.py +++ b/pymolresponse/td.py @@ -106,7 +106,7 @@ def print_results_nwchem(self) -> str: iocc, ivirt = indices_sorted[idx] lines.append( f"{idx + 1:>5d}{1:>5d}{iocc + 1:>5d}{ivirt + 1:>5d} " - f'{"X":<5}{moene[iocc]:>10.3f}{moene[ivirt]:>10.3f}{ediff_sorted[idx]:>10.3f}' + f"{'X':<5}{moene[iocc]:>10.3f}{moene[ivirt]:>10.3f}{ediff_sorted[idx]:>10.3f}" ) lines.append("--------------------------------------------------------") return "\n".join(lines)