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charnley committed Jan 9, 2025
1 parent 51e5885 commit 0179219
Showing 1 changed file with 5 additions and 1 deletion.
6 changes: 5 additions & 1 deletion rmsd/calculate_rmsd.py
Original file line number Diff line number Diff line change
Expand Up @@ -1431,7 +1431,11 @@ def get_principal_axis(atoms: ndarray, V: ndarray) -> ndarray:


def set_coordinates(
atoms: ndarray, V: ndarray, title: str = "", decimals: int = 8, set_atoms_as_symbols=True
atoms: ndarray,
V: ndarray,
title: str = "",
decimals: int = 8,
set_atoms_as_symbols: bool = True,
) -> str:
"""
Print coordinates V with corresponding atoms to stdout in XYZ format.
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