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check_ICOHPs float to int correction
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src/pymatgen/io/lobster/lobsterenv.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1591,7 +1591,7 @@ def check_ICOHPs(lengths_from_ICOHPs, selected_ICOHPs, translation, length_thres
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if (
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abs(lengths_from_ICOHPs[i] - lengths_from_ICOHPs[j]) < length_threshold
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and abs(selected_ICOHPs[i] - selected_ICOHPs[j]) > energy_threshold
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and [int(idx) for idx in translation[i]] != [0.0, 0.0, 0.0]
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and translation[i] != (0, 0, 0)
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and (
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translation[i][0] == -translation[j][0]
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and translation[i][1] == -translation[j][1]

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