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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Jan 20, 2025
1 parent 18de3c2 commit f664d27
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Showing 2 changed files with 3 additions and 3 deletions.
4 changes: 2 additions & 2 deletions src/tinydft/atom.py
Original file line number Diff line number Diff line change
Expand Up @@ -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:
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2 changes: 1 addition & 1 deletion tests/test_tinydft.py
Original file line number Diff line number Diff line change
Expand Up @@ -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"
)


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