diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 64373ed..e8ff630 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -25,12 +25,12 @@ repos: hooks: - id: remove-crlf - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.7.1 + rev: v0.9.3 hooks: - id: ruff-format - id: ruff args: ["--fix", "--show-fixes"] - repo: https://github.com/python-jsonschema/check-jsonschema - rev: 0.29.4 + rev: 0.31.0 hooks: - id: check-github-workflows diff --git a/src/tinydft/atom.py b/src/tinydft/atom.py index 0139472..1488a02 100644 --- a/src/tinydft/atom.py +++ b/src/tinydft/atom.py @@ -60,13 +60,13 @@ def interpret_econf(econf: str) -> list[np.ndarray]: occup = float(key[2:]) if occup <= 0: raise ValueError( - "Occuptions in the electronic configuration must " "be strictly positive." + "Occuptions in the electronic configuration must be strictly positive." ) priqn = int(key[0]) angqn = char2angqn(key[1]) if occup > 2 * (2 * angqn + 1): raise ValueError( - "Occuptions in the electronic configuration must " "not exceed 2 * (2 * angqn + 1)." + "Occuptions in the electronic configuration must not exceed 2 * (2 * angqn + 1)." ) # Add more angular momenta if needed. while len(occups) < angqn + 1: diff --git a/tests/test_tinydft.py b/tests/test_tinydft.py index 8b2629b..a2ffccf 100644 --- a/tests/test_tinydft.py +++ b/tests/test_tinydft.py @@ -87,7 +87,7 @@ def test_klechkowski(): assert klechkowski(10) == "1s2 2s2 2p6" assert klechkowski(23) == "1s2 2s2 2p6 3s2 3p6 4s2 3d3" assert klechkowski(118) == ( - "1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 " "6s2 4f14 5d10 6p6 7s2 5f14 6d10 7p6" + "1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 5d10 6p6 7s2 5f14 6d10 7p6" )