PoreMS 0.2
  • API
  • Process
  • Molecule
  • Pore
  • Workflow
  • Site
    • Page
        • Molecule.centroid

    Molecule.centroid¶

    Molecule.centroid(self)¶

    Calculate the geometrical center of mass

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

    with

    \[c_i=\frac{1}{m}\sum_j^m d_{ij}.\]

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

    Returns:
    Centroid : list

    Geometrical center of mass

    Back to top

    © Copyright 2021, Hamzeh Kraus.
    Created using Sphinx 1.6.6.