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[pre-commit.ci] pre-commit autoupdate #506

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Merged
wanghan-iapcm merged 2 commits into from
Jul 25, 2023
Merged

[pre-commit.ci] pre-commit autoupdate #506

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c3942e6
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] Jul 25, 2023
c4a30a5
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Jul 25, 2023
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2 changes: 1 addition & 1 deletion .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@ repos:
- id: black-jupyter
- repo: https://github.com/astral-sh/ruff-pre-commit
# Ruff version.
rev: v0.0.278
rev: v0.0.280
hooks:
- id: ruff
args: ["--fix"]
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18 changes: 6 additions & 12 deletions dpdata/cp2k/cell.py
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Expand Up @@ -28,24 +28,18 @@ def cell_to_low_triangle(A, B, C, alpha, beta, gamma):
"""
if not np.pi * 5 / 180 < alpha < np.pi * 175 / 180:
raise RuntimeError(
"alpha=={}: must be a radian, and \
must be in np.pi*5/180 < alpha < np.pi*175/180".format(
alpha
)
f"alpha=={alpha}: must be a radian, and \
must be in np.pi*5/180 < alpha < np.pi*175/180"
)
if not np.pi * 5 / 180 < beta < np.pi * 175 / 180:
raise RuntimeError(
"beta=={}: must be a radian, and \
must be in np.pi*5/180 < beta < np.pi*175/180".format(
beta
)
f"beta=={beta}: must be a radian, and \
must be in np.pi*5/180 < beta < np.pi*175/180"
)
if not np.pi * 5 / 180 < gamma < np.pi * 175 / 180:
raise RuntimeError(
"gamma=={}: must be a radian, and \
must be in np.pi*5/180 < gamma < np.pi*175/180".format(
gamma
)
f"gamma=={gamma}: must be a radian, and \
must be in np.pi*5/180 < gamma < np.pi*175/180"
)
if not A > 0.2:
raise RuntimeError(f"A=={A}, must be greater than 0.2")
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