Morse Pt saddle search (built-in potential)

A small dimer saddle search on morse_pt using the geometries from benchmarks/data/one_pt_saddle_search/. After the client finishes, plot the trajectory with rgpycrumbs eon plt-saddle (same single-ended landscape stack as minimization).

Setup and run

Profile and landscape

# Profile (energy / eigenvalue vs iteration when available)
out_p = plot_dir / "saddle_profile.png"
try:
    run_rgpycrumbs(
        "eon",
        "plt-saddle",
        "--job-dir",
        str(work),
        "--label",
        "pt saddle",
        "--plot-type",
        "profile",
        "--dpi",
        "150",
        "-o",
        str(out_p),
    )
    show_plot(out_p)
except Exception as exc:
    print("plt-saddle profile skipped:", exc)

out_l = plot_dir / "saddle_2d.png"
try:
    run_rgpycrumbs(
        "eon",
        "plt-saddle",
        "--job-dir",
        str(work),
        "--label",
        "pt saddle",
        "--plot-type",
        "landscape",
        "--project-path",
        "--surface-type",
        "grad_imq",
        "--plot-structures",
        "endpoints",
        "--strip-renderer",
        "xyzrender",
        "--strip-dividers",
        "--dpi",
        "150",
        "-o",
        str(out_l),
    )
    show_plot(out_l)
except Exception as exc:
    print("plt-saddle landscape skipped:", exc)

See also