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.
- Parameters:
v1 (np.ndarray) – First vector.
v2 (np.ndarray) – Second vector.
box_boundary (np.ndarray) – Boundaries of the simulation box given in the form np.array([[xmin, xmax], [ymin, ymax], [zmin, zmax]]).
pbc (bool, optional) – If True, periodic boundary conditions are considered. The default is True.
- Returns:
out – Difference vector(s).
- Return type:
np.ndarray