amep.pbc.pbc_diff#
- amep.pbc.pbc_diff(v1: ndarray, v2: ndarray, box_boundary: ndarray, pbc: bool = True) ndarray#
- Calculates the difference vector(s) between v1 and v2 considering
periodic boundary conditions.
- v1np.ndarray
First vector.
- v2np.ndarray
Second vector.
- box_boundarynp.ndarray of shape (3,2)
Boundary of the simulation box in the form of np.array([[xmin, xmax], [ymin, ymax], [zmin, zmax]]).
- pbcbool, optional
If True, periodic boundary conditions are considered. The default is True.
- outnp.ndarray
Difference vector(s).