dist_deriv

dist_deriv(coords, i, j): 

Gives the derivative of the distance between i and j with respect to coords i and coords j

  • coords: np.ndarray

    No description…

  • i: int | Iterable[int]

    index of one of the atoms

  • j: int | Iterable[int]

    index of the other atom

  • :returns: np.ndarray

    derivatives of the distance with respect to atoms i, j, and k

Examples:


Edit Examples or Create New Examples
Edit Template or Create New Template
Edit Docstrings