PerturbedEquilibrium - FEATURE - Write the pmodb quantities (Eulerian and Lagrangian δ|B|, B·∇·ξ⊥, B·κ·ξ⊥) to gpec.h5
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Assessment
- Difficulty
- 5/5
- Estimated time
- Over a week
- Newbie friendliness
- 25/100
- Issue type
- Feature
- Clarity
- Mostly clear
- Activity status
- Quiet
- Tech stack
- julia
- Domain
- data, data-visualization
Research direction
Start by reading src/Analysis/PerturbedEquilibrium.jl and src/Analysis/PerturbedEquilibriumModes.jl, especially plot_mode_spectrogram and modes_to_theta; inspect the listed response and equilibrium datasets in gpec.h5. Decide which δB/B route to use, then implement the on-demand helper and companion plot without adding datasets. Done means the acceptance criteria are met and a matched Fortran benchmark reports amplitude and phase agreement, tolerance, and figures.
Written by the indexing model from the issue text.
Description
Summary
Julia GPEC has no equivalent of the Fortran pmodb_flag outputs, and it should not
get one by adding datasets to gpec.h5. Instead, add an Analysis helper that
reconstructs these quantities on demand from the response fields the file already
carries. This keeps gpec.h5 small while still letting users plot δ|B| and
∇·ξ⊥ profiles whenever they want them.
What Fortran provides
gpout_pmodb (gpec/gpout.f:2745) writes GPEC_pmod_n#.out plus these netCDF
variables, on both the (ψ, m) mode grid and the (ψ, θ) function grid:
| Fortran variable | Quantity |
|---|---|
b_eul / b_eul_fun |
Eulerian δ|B| = χ₁(b_θ + q·b_ζ)/(J·B) [T] |
b_lag / b_lag_fun |
Lagrangian δ|B| = b_eul + ξ^ψ ∂B/∂ψ + (ξ^α/(χ₁q)) ∂B/∂θ [T] |
Bdivxi_perp / _fun |
B·∇·ξ⊥ |
Bkappaxi_perp / _fun |
B·κ·ξ⊥ |
The Fortran docs describe this file as "necessary for NTV post processing" — its
original job was to hand δ|B| from GPEC to PENTRC across a file boundary.
Current state in Julia
The physics exists, but only as in-memory interpolants inside KineticForces:
set_perturbation_data!(src/KineticForces/KineticForcesStructs.jl:293) builds
kf_intr.dbob_m(δB/B) andkf_intr.divx_m(∇·ξ⊥) asCubicSeriesInterpolants
over ψ,[npsi, mpert].- This is a port of PENTRC's
set_peq(pentrc/inputs.f90:826-877) — the JBB
deweighting route (apply S,T,X,Y,Z in m-space → IDFT → divide by J·B² → DFT),
see_jbb_deweight!at line 412 — not a port ofgpout_pmodb, which builds
δ|B| directly from the covariant perturbed field. - Neither is written to HDF5.
src/KineticForces/Output.jlwrites only
kinetic_forces/<method>/(torques, energies,dTdψ, matrices, optional
per-record bounce diagnostics). - Because
KineticForcesruns in-process, the file hand-off Fortran needed is
obsolete. The Eulerian/Lagrangian split is never formed anywhere in Julia.
So a user who wants to look at δ|B|(ψ, m) today has no supported path.
Proposal
Add an Analysis helper — e.g. compute_pmodb(h5path; ...) in
src/Analysis/PerturbedEquilibrium.jl, with a companion plot function following the
existing plot_mode_spectrogram (src/Analysis/PerturbedEquilibrium.jl:353)
conventions — that reconstructs the gpout_pmodb quantities from datasets already
present in gpec.h5.
Everything required is already in the file:
perturbed_equilibrium/response/b_cova_theta,b_cova_zeta→ b_θ, b_ζperturbed_equilibrium/response/clebsch_psi→ ξ^ψperturbed_equilibrium/response/clebsch_alpha→ ξ^α/χ₁ (already divided by χ₁)integration/psi,integration/q→ radial axis and qsplines/rzphi/*and the equilibrium field data → J, B, ∂B/∂ψ, ∂B/∂θinfo/mlow,info/mpert,info/nlow,info/npert→ mode metadata
Analysis.PerturbedEquilibriumModes.modes_to_theta
(src/Analysis/PerturbedEquilibriumModes.jl:41) already handles the m → θ
transform, so the helper should reuse it rather than reimplementing the DFT.
Explicit non-goal: do not add b_eul/b_lag/divxi/kappaxi datasets to
gpec.h5. These are [npsi, mpert] (and potentially [npsi, mtheta]) complex
arrays per quantity per n, which is real disk cost for a diagnostic most runs never
look at. Everything needed to regenerate them is already stored; recomputing on
demand is cheap.
Open question for the implementer
Which route to use for δB/B:
gpout_pmodbroute — from the covariant field; gives both Eulerian and
Lagrangian, and is exactly reproducible against the Fortran output.set_peqroute — reuse the existing_jbb_deweight!machinery that
KineticForcesalready runs, giving the single δB/B the action integral consumes.
Route 1 is the better fit for a user-facing plotting helper (it is what the Fortran
diagnostic actually emits, and it separates Eulerian from Lagrangian). Route 2 has
the advantage of exercising code already on the NTV hot path. Cross-checking the two
against each other would itself be a useful result and would surface any discrepancy
between the two formulations.
Benchmarking requirement
Any PR addressing this issue must include a benchmark against Fortran GPEC.
The helper is only useful if its numbers match, and there is a nontrivial risk of
convention mismatch: the Julia response fields live in the working jac_type
coordinate, whereas Fortran applies gpeq_bcoordsout with jac_out/tmag_out
before writing, and the θ-space *_fun outputs additionally carry the
exp(i·n·Δφ) factor to machine toroidal angle.
Concretely, a PR should:
- Run a matched case in both codes (e.g.
examples/DIIID-like_ideal_exampleagainst
the corresponding Fortrangpec.inwithpmodb_flag=t), withjac_outset so the
coordinates genuinely correspond. - Compare
b_eul,b_lag,Bdivxi_perp, andBkappaxi_perpin both mode space
and θ space, over the full ψ range — not just at the edge surface. - Report amplitude and phase agreement per m, and state the achieved tolerance.
- Include the comparison figure(s) in the PR description, following the
benchmarks/conventions (inputs referenced fromexamples/, outputs written into
benchmarks/, nothing committed). - Explicitly document any remaining discrepancy and its cause, rather than tuning a
tolerance until it passes.
Note that the existing cylindrical-component helpers (xi_R, xi_Z, xi_phi,
b_R, b_Z, b_phi) are documented as beta with up to ~20% disagreement against
Fortran; this helper should not ship in that state.
Acceptance criteria
-
Analysishelper returns Eulerian and Lagrangian δ|B|, B·∇·ξ⊥, and B·κ·ξ⊥ in
mode space, with an option for θ space. - Companion plot function following existing
Analysisplotting conventions. - No new datasets written to
gpec.h5. - Docstrings added and covered by an
@autodocsblock indocs/src/analysis.md. - Fortran benchmark performed, tolerance stated, figures in the PR description.
- Regression harness run per project policy (this should be output-neutral —
confirm it is).
- Dominant language
- Julia
- Stars
- 11
- Forks
- 7
- Avg merge
- 4d 3h
- Merged PRs (30d)
- 70
Getting set up
- No Dockerfile or Docker Compose file
- Has a pull request template
- No contributing guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
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