From f664d27ef806f3a970782d4f2cd12b6486d5dff5 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 20 Jan 2025 23:21:56 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- src/tinydft/atom.py | 4 ++-- tests/test_tinydft.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) 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" )