chore: switches from black and isort to ruff
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@@ -1,11 +1,10 @@
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from diceplayer import logger
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from diceplayer.shared.environment.molecule import Molecule
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from diceplayer.shared.utils.misc import BOHR2ANG
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from diceplayer.shared.utils.ptable import atomsymb
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import numpy as np
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from numpy import linalg
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from typing_extensions import List, TextIO, Tuple
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from typing_extensions import List, Tuple
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import math
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from copy import deepcopy
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@@ -92,8 +91,10 @@ class System:
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try:
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evals, evecs = linalg.eigh(rr)
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except:
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raise RuntimeError("Error: diagonalization of RR matrix did not converge")
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except Exception as err:
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raise RuntimeError(
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"Error: diagonalization of RR matrix did not converge"
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) from err
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a1 = evecs[:, 2].T
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a2 = evecs[:, 1].T
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