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Neutron generator updates#1878

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Open

Neutron generator updates#1878
michaelmackenzie wants to merge 7 commits into
Mu2e:mainfrom
michaelmackenzie:NeutronTail

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@michaelmackenzie

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This is so we can simulate the high energy neutron tail component for calo cluster background studies

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Hi @michaelmackenzie,
You have proposed changes to files in these packages:

  • EventGenerator
  • MCDataProducts

which require these tests: build.

@Mu2e/write, @Mu2e/fnalbuild-users have access to CI actions on main.

⌛ The following tests have been triggered for fd5c2a7: build (Build queue - API unavailable)

About FNALbuild. Code review on Mu2e/Offline.

@oksuzian

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Core change

New helper in the base class centralizes what DIOGenerator did inline:

double calculateBinnedSpectrumEnergyFraction(fhicl::ParameterSet pset,
                                             std::string var_low = "elow",
                                             std::string var_high = "ehi",
                                             double full_var_low = 0.,
                                             double full_var_high = 0.) const {
  BinnedSpectrum spectrum(pset);
  pset.erase(var_low);
  pset.erase(var_high);
  pset.put(var_low, full_var_low);
  pset.put(var_high, full_var_high);
  BinnedSpectrum fullSpectrum(pset);
  ...
  const double fraction = (fullIntegral > 0.) ? integral / fullIntegral : 0.;
  return fraction;
}

MuCapNeutronGenerator now actually uses the fraction (previously hardcoded 1.), and DIOGenerator was rewritten to call the helper and renamed _energy_fraction_energyFraction.

Issues / concerns

1. Behavior change in DIO: dropped threshold correction (medium). The old DIO code added a near-threshold correction before computing the fraction; the new shared helper omits it:

// removed in DIOGenerator_tool.cc
double pmin = _spectrum.getAbscissa(0);
double pdfmin = _spectrum.getPDF(0);
double binsize = _spectrum.getBinWidth();
fullintegral += 0.5*pdfmin*pmin/binsize;

This changes the DIO _energyFraction value (and thus normalization) versus current behavior. The comment noted it corrects "the missing prediction near threshold, assuming the rate falls to 0 linearly." Confirm this drop is intentional and acceptable for DIO — if not, the correction should be preserved (e.g. as an optional flag in the helper).

2. pset passed by value but reused after mutation (low, but verify). In both callers fullconfig is retrieved and passed to the helper. The helper takes pset by value and mutates it locally, so callers are safe — good. Just confirm no caller relies on fullconfig being modified afterward.

3. Debug std::cout left in production paths (low). Both generators unconditionally print sampled-fraction lines to stdout on every construction. Consider mf::LogInfo/a verbosity guard instead of raw std::cout for job-log cleanliness.

4. classes_def.xml addition — verify necessity (low). New dictionary entries for std::pair<std::string, RestrictedVar> and its wrapper are added. Confirm these are actually needed for persistence and that a matching entry exists in classes.h (only classes_def.xml is touched here) — mismatches cause genreflex/build failures.

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☀️ The build tests passed at fd5c2a7.

Test Result Details
test with Command did not list any other PRs to include
merge Merged fd5c2a7 at 20895af
build (prof) Log file. Build time: 08 min 41 sec
ceSimReco Log file.
g4test_03MT Log file.
transportOnly Log file.
POT Log file.
g4study Log file.
cosmicSimReco Log file.
cosmicOffSpill Log file.
ceSteps Log file.
ceDigi Log file.
muDauSteps Log file.
ceMix Log file.
rootOverlaps Log file.
g4surfaceCheck Log file.
trigger Log file.
check_cmake Log file.
FIXME, TODO TODO (0) FIXME (0) in 3 files
clang-tidy ➡️ 4 errors 17 warnings
whitespace check no whitespace errors found

N.B. These results were obtained from a build of this Pull Request at fd5c2a7 after being merged into the base branch at 20895af.

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@michaelmackenzie

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Responding to the AI comments, after discussion with Dave about the integral calculation:

  1. I updated the full spectrum integral to optionally include the low tail linear interpolation estimate, which includes a bug fix where it previously used the restricted PDF information. Before and after this update, I get identical integrals for an unrestricted DIO energy spectrum input of 0.999779 which shows the correction to the full spectrum integral matches. For DIO with E > 95 MeV the integral changes from 3.637e-11 --> 3.636e-11.
  2. The intent is to not modify the pset used by the generators, so retrieving by value was intentional.
  3. This is consistent with the previous implementation, promising that these fractions can always be cross-checked in the log files if needed.
  4. I got warnings about these missing when writing test files, so they appear to be needed.

}
// The "full" integral may be missing the lowest tail component in some cases (e.g. DIO)
// --> apply a linear interpolation correction if requested
if(correct_full_integral) {

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What is the use case for making this correction optional?

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Is this correction needed in general? Should the proton/neutron KE spectra also include it? In the case that a different variable was given (perhaps one, like cos(theta), that doesn't go 0 - x) would we need to instead provide the x-value for the absolute edge that isn't included in the BinnedSpectrum PDF?

I only made it optional as I didn't understand if all BinnedSpectrum PDFs are missing a component that can be approximated with a linear interpolation to 0 or not.

@brownd1978

brownd1978 commented Jul 11, 2026 via email

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@michaelmackenzie

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I suggest taking 1 step at a time:

  • fix the bug in the integral calculation of DIO spectrum, where it's use is unambiguous.
  • factorize it out with proper control for the general case (if possible)

simply relying on the user to understand how the spectra are being used and configure this correctly seems error prone.

Is the current implementation following this or do you want the linear interpolation from 0 to bin 0 on by default? I can also update to use 0.5*(<xmin> - <full_var_low>)*<pdf at xmin>/<bin width> so it's a bit more general in the case full_var_low is not 0.

@michaelmackenzie

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I just pushed an update to by default correct the low edge of the full PDF integral if xmin > <provided xmin value>

@oksuzian

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PR Review Summary — "Neutron generator updates" (follow-up at 977788c4b)

Re-reviewed at head 977788c4b, three-dot against merge-base 20895afb. The refactor is the right idea and it does fix a real bug in the old DIO normalization — thanks for the earlier replies, they settled the by-value pset and the log-output points.

Two findings block, both from feeding the fraction into the generated rate. Neither is visible in the validation posted so far, which is DIO/Czarnecki-only — and that is precisely the configuration where the new correction is a no-op.

Decision

  • Request changes.

Scope understood

  • Hoists DIO's spectrum-fraction calculation into a shared ParticleGeneratorTool::calculateBinnedSpectrumEnergyFraction().
  • Uses it in MuCapNeutronGenerator so a restricted ("high-energy tail") config generates at a correspondingly reduced rate.
  • Feeds the fraction into the generated rate, where previously it was only SpectrumConfig bookkeeping.

Findings

1. [S0] IPAMuminusMichel primary production collapses by ~3×10⁵ — empty datasets

DIOGenerator_tool.cc:91 changed from r = (_czmax - _czmin)/2. to r = _energyFraction*(_czmax - _czmin)/2., gating if(_isPrimary || _randFlat->fire() <= r).

Mu2eG4/src/CompositeMaterialGenerator_module.cc:125 calls finishInitialization(_engine, "", false)isPrimary=false — so that gate really does sample on r. And Production/JobConfig/primary/IPAMuminusMichel.fcl drives exactly that module with two DIOGenerator tools restricted to elow: 70.0, ehi: 110.0 for variance reduction. It sets no czmin/czmax, so r was previously (1-(-1))/2 = 1.0 and _randFlat->fire() <= 1.0 was always true — every DIO was kept.

Computed against the real tables:

element table _energyFraction previously now
C heeck_finer_binning_2016_szafron-scaled-to-6C.tbl 2.989e-06 all kept (r=1.0) ~1 per 334,529 stops
H heeck_finer_binning_2016_szafron-scaled-to-1H.tbl 6.924e-07 all kept (r=1.0) ~1 per 1,444,214 stops

With PrimaryFilter.MinimumPartMom : 1.0 (IPAMuminusMichel.fcl:8) the job produces effectively nothing. It's also a double-correction in waiting: DIOGenerator_tool.cc:121 already records that same fraction in SpectrumConfig — which is the correct mechanism for a variance-reduced primary, and it is now applied twice.

The root cause is pre-existing and not yours: CompositeMaterialGenerator is a primary generator (it lives in JobConfig/primary/, emits dts.owner.IPAMuminusMichel…) that declares isPrimary=false. It is the odd one out —

module passes semantics
SingleProcessGenerator_module.cc:106 true primary ✔
Pileup_module.cc:119/125, MuStopProductsGun_module.cc:114/119 false pileup ✔
CompositeMaterialGenerator_module.cc:125 false primary ✘

That mislabel was harmless while r ≡ 1.0. This PR makes it fatal, so it has to be resolved here.

Suggested fix: have CompositeMaterialGenerator pass isPrimary=true, and/or state explicitly which generators are meant to get rate scaling. IPAMuminusMichel is the only Production config using this module, so the fix is contained.

2. [S1] Neutron rate silently drops 3.62% with no energy restriction configured

MuCapNeutronGenerator_tool.cc:48 calls the helper with correct_full_integral defaulted to true (ParticleGeneratorTool.hh:48), and :60 folds the result into the Poisson mean.

The live production config — Mu2e/Production JobConfig/pileup/prolog.fcl:294-300 (muonCaptureNeutronGenTool) — is spectrumShape: tabulated with Offline/EventGenerator/data/neutronSpectrum.txt and no elow/ehi. So spectrum and fullSpectrum are built from identical psets and integral == fullIntegral == 298731.0 exactly. The correction at ParticleGeneratorTool.hh:73-78 fires anyway, because xmin = getAbscissa(0) = 0.5 > full_var_low = 0:

corr            = 0.5*(22471.0/0.5)*(0.5 - 0) = 11235.5
_energyFraction = 298731/(298731 + 11235.5)   = 0.963753     # expected: exactly 1.0

This is live — MuStopPileup.fcl routes the tool through Pileup_module.cc with isPrimary=false. It also poisons the data product: :130 records RestrictedVar(kineticEnergy, 0.9638, xmin=0.25, xmax=100.25), i.e. "96.4% sampled" over what is in fact the full range.

Why the posted validation missed it. The check quoted above ("identical integrals … 0.999779") is DIO/Czarnecki. czarnecki_Al.tbl runs down to 0 → 0, so full.getPDF(0) = weight(0.05) = 0 exactly (CzarneckiSpectrum.cc:38-41 returns _table(0) = 0). With pdfmin = 0 the triangle is identically zero both before and after — which is exactly why those integrals matched. That test structurally cannot see this. The neutron table has pdfmin = 22471 at its low edge and was never exercised.

Why it looks accidental. DIO passes true explicitly at both 81db65d35 and 977788c4b, so flipping the default changed nothing except the neutron:

commit default DIO call site
81db65d35 correct_full_integral = false (fullconfig, true) — explicit
977788c4b (head) correct_full_integral = true (fullconfig, true) — explicit

The head commit's xmin > full_var_low guard was clearly meant to stop exactly this spurious correction ("correct the low edge of the full PDF integral if xmin > <provided xmin value>"). It doesn't, because of finding 3. Note this PR's own commit message says "…if energy is restricted" — nothing is restricted here.

Suggested fix: revert the default to false (DIO is explicit, so that's a zero-diff change for DIO), and apply finding 3. Fixing finding 3 alone still leaves −1.85%.

3. [S1] The guard and the correction measure from the bin centre, not the bin low edge

ParticleGeneratorTool.hh:73 reads fullSpectrum.getAbscissa(0), but BinnedSpectrum.hh:163 is explicit: "x values for Binned Spectrum is saved as BIN CENTERS not as left edge." The low edge is getXMin() (BinnedSpectrum.hh:143). The code contradicts its own comment on :77, which says "spectrum low edge".

Bin 0's PDF already covers [getXMin(), getXMin()+bw], so extending the triangle to the centre re-adds a half-bin that is already counted. The over-count is exactly pdfmin/4, independent of bin width:

Δ = 0.5*(pdfmin/bw)*[(getXMin()+bw/2) - L] - 0.5*(pdfmin/bw)*[getXMin() - L] = pdfmin/4

For the neutron table that's 22471/4 = 5617.751.88% of fullIntegral, making the correction exactly 2× too large (base 0.5 instead of 0.25). Denominator too big → fraction too small → rate too low.

It's also why the new guard never fires: for any spectrum whose support already starts at full_var_low, getAbscissa(0) == full_var_low + bw/2 > full_var_low, so the guard always passes.

Suggested fix: const double xmin = fullSpectrum.getXMin();. That makes the guard the exactly-correct predicate — "the spectrum's own lower edge lies above the requested lower bound" ⟺ something is genuinely missing. For the production DIO/Czarnecki config getXMin() == 0.0, so 0 > 0 is false and the correction self-disables, which is right since that spectrum already spans [0, endpoint].

4. [S2] The elow == ehi == 0 "full spectrum" idiom is only valid for tabulated

Concrete evidence for @brownd1978's "proper control for the general case" concern. The docstring (ParticleGeneratorTool.hh:51) promises "if elow == ehi, it does the full spectrum". Against BinnedSpectrum.cc that holds for tabulated (the elo > 0/ehi > 0 guards make 0/0 a genuine no-op) and vacuously for Czarnecki (which never reads ehi from the pset — :33 hardcodes getEndpointEnergy(), so full_var_high is a silent no-op there). Elsewhere it does not:

  • flat (BinnedSpectrum.cc:37-41): BinWidth = ehi - elow = 0 → throws BADCONFIG "invalid binWidth = 0".
  • RMC, Bistirlich, ceLeadingLog: initialize<Shape>(0,0,res) iterates zero times → empty abscissaBinnedSpectrum.hh:109/:99 index an empty vector → undefined behaviour.
  • ejectedProtons: ignores elow/ehi entirely → same phantom-correction class as finding 2.

This matters here because MuCapNeutronGenerator_tool.cc:44 computes _flatSpectrum from spectrumShape == "flat" and reports kFlat at :131 — a flat neutron spectrum is an anticipated configuration — and :48 now calls the helper unconditionally, so such a config would throw at construction. Pre-existing for DIOGenerator; new exposure for MuCapNeutronGenerator. No flat neutron config exists in-tree today, so this is latent rather than observed.

Suggested fix: short-circuit (return 1.) or throw a clear BADCONFIG for shapes that don't support the idiom, and correct the docstring.

5. [S2] DIOGenerator_tool.cc:51's comment is stale — that correction is identically zero

The comment says "correcting for missing 0 - 1 MeV component", but per finding 2 the triangle is exactly 0 for Czarnecki: the full spectrum already includes 0–1 MeV by direct summation, and that region carries ~7e-5 of the spectrum.

Credit where due: the old code took pmin/pdfmin from the restricted spectrum (abscissa 1.05), which was genuinely wrong and double-counted a region fullspect already contained. Switching to fullSpectrum is a real fix. Only the comment needs updating.

6. [S2] The helper doesn't belong on the interface header

ParticleGeneratorTool is a header-only interface (no .cc). A 38-line inline body with loops now pulls BinnedSpectrum.hh into ~14 translation units for the benefit of the 2 that call it, and any BinnedSpectrum.hh edit rebuilds all of them. The function touches no member state, so it isn't interface behaviour at all.

Suggested fix: make it a free function in Mu2eUtilities next to BinnedSpectrum (e.g. BinnedSpectrumUtils.hh/.cc), which also removes the new include from the interface header. Both callers already link Offline::Mu2eUtilities and already include BinnedSpectrum.hh, so the move is zero-cost. Failing that, at least mark it static.

7. [S2] Mu2eXGenerator_tool.cc:59-62 still carries the exact bug DIO just fixed

double pmin   = _spectrum.getAbscissa(0);   // RESTRICTED spectrum — the old DIO bug
double pdfmin = _spectrum.getPDF(0);        // RESTRICTED spectrum
fullintegral += 0.5*pdfmin*pmin/binsize;    // unconditional

It reports _energy_fraction at :126 and didn't receive this fix. Consolidating it onto the new helper is exactly what hoisting the helper was for. (RMCGenerator is the other tool with a genuinely restrictable spectrum — prolog.fcl:373-374 sets elow: 85, ehi: 90.1 — but it needs care: the helper's blind erase/put would desync kMaxUserSet/kMaxUser.)

8. [S3] Minor

  • DIOGenerator_tool.cc:43-45: integral is now computed and never read — a refactor leftover, along with its "compute normalization" comment. (Checked rather than assumed: this does not break -Werror; integral += … counts as a read for -Wunused-but-set-variable, and fd5c2a789 built green with this exact code.) The ctor also now builds three BinnedSpectrums where the merge-base built two.
  • classes_def.xml:44: understood that the dictionary entries silenced warnings in your test files. Was art::Wrapper<std::pair<...>> specifically among them? std::pair<std::string,RestrictedVar> is never produced as a data product, and this is the only art::Wrapper<std::pair<...>> in the repo — 25+ other std::pair selections, none Wrapper'd. Line 43 looks correct and idiomatic either way.
  • ParticleGeneratorTool.hh:47 names fhicl::ParameterSet by value (complete type required) with no #include "fhiclcpp/ParameterSet.h"; MuCapNeutronGenerator_tool.cc:49-50 adds std::cout with no <iostream>. Both compile only via transitive include from BinnedSpectrum.hh — which finding 6 would remove.
  • std::string var_low/var_high by value → const std::string&. Params are snake_case while the same function's locals are camelCase.
  • full_var_low = 0. is the right floor for kineticEnergy/momentum but wrong for totalEnergy (floor = mass). Not reachable today — every current config uses kineticEnergy — but MuCapNeutronGenerator's switch can emit "energy" for TOTAL_ENERGY.
  • Pre-existing but interacting: the neutron fcl omits BinCenter: true. The table's values (0.25, 0.75, … spacing 0.5) are unambiguously bin centres spanning 0–100, but BinnedSpectrum.cc:95 defaults to false, shifting support to 0.25–100.25. That shift is what keeps the triangle alive even after the getXMin() fix — with BinCenter: true and getXMin(), the fraction is exactly 1.0. Relatedly EventGenerator/fcl/prolog.fcl:301 still claims "'tabulated' option ignores elow and ehi", contradicting BinnedSpectrum.cc:93-95.

Verified correct — no action needed

  • No missing link dependency. Only 2 TUs ODR-use the helper (it's non-virtual, so the other ~12 includers emit no BinnedSpectrum symbol), and both EventGenerator/CMakeLists.txt:537 and :581 already list Offline::Mu2eUtilities; it also propagates transitively via LIBRARIES PUBLIC. SCons passes one flat per-directory list including mu2e_Mu2eUtilities.
  • Multiplying the rate by the fraction is sound in principle. physicsParams.Al.capture.neutronRate = 1.2 is a total per-capture multiplicity over the table's 0–100 MeV support, and the sibling RMCRate comment documents that convention ("full rate taken by dividing by closure fraction above 57 MeV"). The mechanism is right; the fraction is wrong (finding 3), and it must not reach primaries (finding 1). Worth annotating neutronRate = 1.2 while here — it carries no comment on what range it spans.
  • No _isPrimary asymmetry between the two tools. MuCapNeutronGenerator_tool.cc:88 is n_gen = (_isPrimary) ? 1 : _randomPoissonQ->fire() — the Poisson is never fired when primary, so the fraction on its mean cannot down-scale primary generation. Semantically equivalent to DIO's if(_isPrimary || …).
  • The correction is dimensionally consistent — the bare sums are I/bw, and 0.5*(pdfmin/binsize)*(xmin - full_var_low) is the triangle area in the same units. Binning is uniform in all three real tables, so the bare-sum ratio is valid.
  • The pset erase/put is safe. spectrum is a fhicl::DelegatedParameter in both tools, .get<ParameterSet>() returns a copy, and the helper takes pset by value — the mutation is local, as you said.
  • classes.h needs no matching edit; the non-const std::pair spelling is the established Mu2e idiom; no schema-evolution risk.
  • The restriction mechanism itself works. With elow set, the neutron fraction tracks the true tabulated fraction (0.41 / 0.22 / 0.078 at 5 / 10 / 20 MeV). The −3.62% is a uniform multiplicative bias on top — the feature this PR is for does work, once the bias is removed.

Validation check

  • Build/tests run: not on this head. mu2e/buildtest reports pending — "This test has not been triggered yet." on 977788c4b, 81db65d35 and 27cdacdd0. The only green FNALbuild is fd5c2a789, the first of four commits, and its own description says "Merged fd5c2a7 at 20895af" — i.e. it validated a pure refactor, before either rate change existed. Every behaviour-changing line in this PR is CI-unvalidated.
  • mu2e/muDauSteps is the test that would exercise both blockers (Production/Validation/muDauSteps.fcl includes MuStopPileup.fcl, whose prolog carries muonCaptureNeutronGenTool and dioGenTool). It ran only on fd5c2a789.
  • Config contract check: partial — elow/ehi are the right keys for tabulated/Czarnecki, but the idiom is unsafe for other shapes (finding 4).
  • Cross-repo: no Production PR is required — and that's the concern. Both blockers land through unchanged Production configs (pileup/prolog.fcl, primary/IPAMuminusMichel.fcl) with no Production diff to review. mu2e-trig-config is unaffected.

Residual risk

  • Any future adopter of the helper with a non-tabulated spectrum gets a throw or UB rather than a clear error.
  • SpectrumConfig::fraction_ is written but never read anywhere in Offline today, so there's no double-count yet — but the product doesn't record whether the fraction was already applied (it is, only when non-primary), so a future consumer can't tell. Worth stating the contract in SpectrumConfig.hh.

Author follow-ups

  1. IPAMuminusMichel (finding 1) is the urgent one — could you confirm the DIO rate scaling isn't meant to reach primaries, and fix CompositeMaterialGenerator's isPrimary=false?
  2. Was the correct_full_integral default flip in 977788c4b intended to change the neutron rate? The commit message suggests not.
  3. Please use getXMin() rather than getAbscissa(0) (finding 3) and revert the default to false (finding 2) — together they restore the unrestricted neutron fraction to exactly 1.0.
  4. Cheap confirmation: mu2e -c EventGenerator/test/Pileup.fcl prints [MuCapNeutronGenerator] Sampled spectrum fraction 0.963753 where 1 is expected. Re-running that before/after checks the neutron path directly, which the DIO integral test can't cover.
  5. Could you re-trigger buildtest on the current head, and add intent/scope/validation evidence to the PR description?

@michaelmackenzie

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Addressing the AI comments:

  1. I set isPrimary = true
  2. I turned off this correction for neutrons
  3. I made this change
  4. I confirmed the neutron integral is 1 now

@michaelmackenzie

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@FNALbuild run build test

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⌛ The following tests have been triggered for 8653622: build (Build queue - API unavailable)

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☀️ The build tests passed at 8653622.

Test Result Details
test with Command did not list any other PRs to include
merge Merged 8653622 at dde444e
build (prof) Log file. Build time: 04 min 17 sec
ceSimReco Log file.
g4test_03MT Log file.
transportOnly Log file.
POT Log file.
g4study Log file.
cosmicSimReco Log file.
cosmicOffSpill Log file.
ceSteps Log file.
ceDigi Log file.
muDauSteps Log file.
ceMix Log file.
rootOverlaps Log file.
g4surfaceCheck Log file.
trigger Log file.
check_cmake Log file.
FIXME, TODO TODO (0) FIXME (0) in 5 files
clang-tidy ➡️ 8 errors 39 warnings
whitespace check no whitespace errors found

N.B. These results were obtained from a build of this Pull Request at 8653622 after being merged into the base branch at dde444e.

For more information, please check the job page here.
Build artifacts are deleted after 5 days. If this is not desired, select Keep this build forever on the job page.

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