Release v2.4.12

• bugfix: PackmolLogParser failed on logs produced by packmol 21.x because the new release reorganized its header in three breaking ways: the Periodic boundary condition activated: line became multi-line with indented Minimum coordinates: and Maximum coordinates: rows, the PBC Reference box: line was removed entirely (its information now carried by the min/max rows), and the per-type Maximum number of GENCAN loops for type: lines were dropped in favor of the aggregate for all molecule packing: value alone; the parser now auto-detects the PBC format by checking whether numeric tokens trail the activation line and reconstructs both pbc_boxsize (max-min) and pbc_reference_box (concatenated min+max) so downstream consumers see the same metadata schema; logs from packmol 20.15.1 continue to parse correctly via the legacy code path
• bugfix: PackmolLogParser initialized each structure's current_gencan_loops counter only inside the per-type Maximum number of GENCAN loops for type: block, so a KeyError was raised on the first GENCAN report for any structure whose type lacked that header line (always the case in packmol 21.x); the counter is now initialized to 0 at structure-creation time
• bugfix: PackmolLogParser.finalize() crashed with 'Axes' object is not subscriptable for single-structure packs because plt.subplots(1, 1) returns a bare Axes rather than a 1-element array; squeeze=False plus ax.flatten() makes the indexing uniform