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fix typo in reorder_inertia_hungarian (#128)
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rmsd/calculate_rmsd.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1073,7 +1073,7 @@ def reorder_inertia_hungarian(
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q_coord = np.array(q_coord, copy=True)
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p_coord -= get_cm(p_atoms, p_coord)
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q_coord -= get_cm(q_atoms, p_coord)
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q_coord -= get_cm(q_atoms, q_coord)
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# Calculate inertia vectors for both structures
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inertia_p = get_inertia_tensor(p_atoms, p_coord)

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