shamrock.math.get_periodic_hcp_box

shamrock.math.get_periodic_hcp_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 corresponding to integer lattice coordinates this function will throw if the coordinates asked cannot make a periodic lattice

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