Examples

This page is the visible examples entry point for GaussletBases.jl.

The package has many runnable examples, but the useful way to approach them is as a small curated sequence rather than as a raw directory listing.

From the repository root, each example runs as:

julia --project=. examples/NAME.jl

Start with these

If you are new to the package, begin with:

1. 01_first_gausslet.jl
2. 02_radial_basis.jl
3. 03_radial_operators.jl
4. 04_hydrogen_ground_state.jl

That sequence is still the clearest public entry path.

Then choose a branch

For the mature radial and atomic line, continue with:

• 15_atomic_hydrogen_ylm.jl
• 16_atomic_ida_ingredients.jl
• 19_atomic_ida_direct.jl
• 20_atomic_ida_exchange.jl
• 21_atomic_ida_fock.jl
• 22_atomic_ida_uhf.jl

For the newer ordinary Cartesian line, continue with:

• 23_cartesian_hydrogen_coulomb_expansion.jl
• 24_mapped_cartesian_hydrogen.jl
• 25_mapped_cartesian_hydrogen_backends.jl
• 33_ordinary_cartesian_1s2_vee.jl
• 29_hybrid_mapped_cartesian_hydrogen.jl
• 34_hybrid_cartesian_1s2_vee.jl
• 35_hybrid_cartesian_residual_vee.jl
• 36_hybrid_cartesian_legacy_he_s_vee.jl
• 37_hybrid_cartesian_mwg_vee.jl
• 38_qiu_white_reference_vee.jl
• 30_ordinary_sho_spectra.jl

38_qiu_white_reference_vee.jl is a slow reference example. Its nearest/GGT path is the default public run; the MWG branch remains opt-in and experimental.

Full curated guide

For the full grouped running guide, use the Example guide.

For the advanced contraction, hierarchy, and prototype examples, use that full guide rather than this shorter landing page.

For the workflow pages that explain these examples, also see:

• Manual
• Current atomic branch
• Current ordinary branch

For the lightweight point-cloud and path viewers used to inspect emitted 2D/3D geometry datasets, also see Visualization utilities.