shamrock.math.get_periodic_fcc_box

shamrock.math.get_periodic_fcc_box(dr: float, box_min: Annotated[list[int], FixedSize(3)], box_max: Annotated[list[int], FixedSize(3)]) → tuple[f64_3, f64_3]

Get the periodic box of a true FCC lattice (ABC stacking) corresponding to integer lattice coordinates. This function will throw if the coordinates asked cannot make a periodic lattice (x count must be >= 2, y count even and z count a multiple of 3)

Args:

dr: the particle spacing in the lattice box_min: integer triplet for the minimal coordinates on the lattice box_max: integer triplet for the maximal coordinates on the lattice