chemcoord.Cartesian.get_inertia¶
-
Cartesian.
get_inertia
()¶ Calculate the inertia tensor and transforms along rotation axes.
This function calculates the inertia tensor and returns a 4-tuple.
The unit is
amu * length-unit-of-xyz-file**2
Parameters: None – Returns: The returned dictionary has four possible keys: transformed_Cartesian
: ACartesian
that is transformed to the basis spanned by the eigenvectors of the inertia tensor. The x-axis is the axis with the lowest inertia moment, the z-axis the one with the highest. Contains also a column for the massdiag_inertia_tensor
: A vector containing the ascendingly sorted inertia moments after diagonalization.inertia_tensor
: The inertia tensor in the old basis.eigenvectors
: The eigenvectors of the inertia tensor in the old basis. Since the inertia_tensor is hermitian, they are orthogonal and are returned as an orthonormal righthanded basis. The i-th eigenvector corresponds to the i-th eigenvalue indiag_inertia_tensor
.Return type: dict