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: