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fix codespell complain
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src/pymatgen/analysis/local_env.py

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Original file line numberDiff line numberDiff line change
@@ -3745,23 +3745,23 @@ def get_nn_info(self, structure: Structure, n: int):
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if self.use_fictive_radius:
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# calculate fictive ionic radii
3748-
firs = [_get_fictive_ionic_radius(site, neighbor) for neighbor in neighbors]
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fictive_radii = [_get_fictive_ionic_radius(site, neighbor) for neighbor in neighbors]
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else:
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# just use the bond distance
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firs = [neighbor.nn_distance for neighbor in neighbors]
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fictive_radii = [neighbor.nn_distance for neighbor in neighbors]
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# calculate mean fictive ionic radius
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mefir = _get_mean_fictive_ionic_radius(firs)
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mefir = _get_mean_fictive_ionic_radius(fictive_radii)
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# iteratively solve MEFIR; follows equation 4 in Hoppe's EconN paper
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prev_mefir = float("inf")
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while abs(prev_mefir - mefir) > 1e-4:
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# this is guaranteed to converge
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prev_mefir = mefir
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mefir = _get_mean_fictive_ionic_radius(firs, minimum_fir=mefir)
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mefir = _get_mean_fictive_ionic_radius(fictive_radii, minimum_fir=mefir)
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siw = []
3764-
for nn, fir in zip(neighbors, firs, strict=True):
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for nn, fir in zip(neighbors, fictive_radii, strict=True):
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if nn.nn_distance < self.cutoff:
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w = math.exp(1 - (fir / mefir) ** 6)
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if w > self.tol:

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