Molecule.com¶

Molecule.com()¶

Calculate the center of mass

\[\text{com}=\begin{pmatrix}c_1&c_2&\dots&c_n\end{pmatrix}^T\]

with

\[c_i=\frac{1}{\sum_j^mM_j}\sum_j^m d_{ij}\cdot M_j\]

and mass \(M\). Hereby \(i\dots n\) stands for the dimension and \(j\dots m\) for the molecule.

Returns: