- matlantis_features.utils.atoms_util.get_inertia_tensor(atoms: Atoms) ndarray #
-
Calculate the inertia tensor of molecule.
- Parameters
-
atoms (Atoms) – The input structure.
- Returns
-
The inertia tensor.
- Return type
-
np.ndarray
Resource Library
matlantis_features.utils.atoms_util.get_inertia_tensor