Package evaluation of AtomicStructure on Julia 1.13.0-DEV.1244 (c841b5fe7d*) started at 2025-10-03T02:37:53.692 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 11.0s ################################################################################ # Installation # Installing AtomicStructure... Resolving package versions... Installed CompositionsBase ──────────── v0.1.2 Installed CommonSolve ───────────────── v0.2.4 Installed MacroTools ────────────────── v0.5.16 Installed DiffResults ───────────────── v1.1.0 Installed FillArrays ────────────────── v1.14.0 Installed ForwardDiff ───────────────── v0.10.39 Installed DataStructures ────────────── v0.19.1 Installed Adapt ─────────────────────── v4.4.0 Installed ConstructionBase ──────────── v1.6.0 Installed AliasTables ───────────────── v1.1.3 Installed StatsBase ─────────────────── v0.34.6 Installed Formatting ────────────────── v0.4.3 Installed HalfIntegers ──────────────── v1.6.0 Installed ArnoldiMethod ─────────────── v0.2.0 Installed Optim ─────────────────────── v1.11.0 Installed UnicodeFun ────────────────── v0.4.1 Installed ArrayInterface ────────────── v7.10.0 Installed QuasiArrays ───────────────── v0.9.8 Installed OrderedCollections ────────── v1.8.1 Installed Combinatorics ─────────────── v1.0.3 Installed Compat ────────────────────── v4.18.1 Installed IteratorInterfaceExtensions ─ v1.0.0 Installed RecipesBase ───────────────── v1.3.4 Installed DataAPI ───────────────────── v1.16.0 Installed PositiveFactorizations ────── v0.2.4 Installed Statistics ────────────────── v1.11.1 Installed BlockBandedMatrices ───────── v0.12.10 Installed PrecompileTools ───────────── v1.3.3 Installed DomainSets ────────────────── v0.6.7 Installed DataValueInterfaces ───────── v1.0.0 Installed StatsAPI ──────────────────── v1.7.1 Installed LazyArrays ────────────────── v1.10.0 Installed ProgressMeter ─────────────── v1.11.0 Installed CommonSubexpressions ──────── v0.3.1 Installed OffsetArrays ──────────────── v1.17.0 Installed UnitfulAtomic ─────────────── v1.0.0 Installed IrrationalConstants ───────── v0.2.4 Installed StaticArraysCore ──────────── v1.4.3 Installed StaticArrays ──────────────── v1.9.15 Installed AngularMomentumAlgebra ────── v0.3.2 Installed AbstractFFTs ──────────────── v1.5.0 Installed IntegerMathUtils ──────────── v0.1.3 Installed StringManipulation ────────── v0.4.1 Installed FastGaussQuadrature ───────── v0.5.1 Installed AtomicStructure ───────────── v0.1.8 Installed NaNMath ───────────────────── v1.1.3 Installed EnergyExpressions ─────────── v0.1.4 Installed ContinuumArrays ───────────── v0.12.6 Installed Infinities ────────────────── v0.1.11 Installed Requires ──────────────────── v1.3.1 Installed OpenSpecFun_jll ───────────── v0.5.6+0 Installed ArrayLayouts ──────────────── v1.11.2 Installed LogExpFunctions ───────────── v0.3.29 Installed DiffRules ─────────────────── v1.15.1 Installed Roots ─────────────────────── v2.2.10 Installed MatrixFactorizations ──────── v2.2.0 Installed PrettyTables ──────────────── v2.4.0 Installed SolverTraces ──────────────── v0.1.3 Installed FiniteDiff ────────────────── v2.23.1 Installed CoulombIntegrals ──────────── v0.1.5 Installed Parameters ────────────────── v0.12.3 Installed Unitful ───────────────────── v1.25.0 Installed PtrArrays ─────────────────── v1.3.0 Installed Tables ────────────────────── v1.12.1 Installed NLSolversBase ─────────────── v7.8.3 Installed InverseFunctions ──────────── v0.1.17 Installed SpecialFunctions ──────────── v2.5.1 Installed Reexport ──────────────────── v1.2.2 Installed IntervalSets ──────────────── v0.7.11 Installed Setfield ──────────────────── v1.1.2 Installed BlockArrays ───────────────── v0.16.43 Installed BandedMatrices ────────────── v0.17.38 Installed AtomicLevels ──────────────── v0.1.10 Installed Missings ──────────────────── v1.2.0 Installed CompositeTypes ────────────── v0.1.4 Installed JLLWrappers ───────────────── v1.7.1 Installed IterativeSolvers ──────────── v0.9.4 Installed Preferences ───────────────── v1.5.0 Installed LaTeXStrings ──────────────── v1.4.0 Installed LRUCache ──────────────────── v1.6.2 Installed TableTraits ───────────────── v1.0.1 Installed Crayons ───────────────────── v4.1.1 Installed Primes ────────────────────── v0.5.7 Installed LineSearches ──────────────── v7.4.0 Installed SortingAlgorithms ─────────── v1.2.2 Installed UnPack ────────────────────── v1.0.2 Installed Format ────────────────────── v1.3.7 Installed WignerSymbols ─────────────── v2.0.0 Installed DocStringExtensions ───────── v0.9.5 Installed Accessors ─────────────────── v0.1.42 Installed RationalRoots ─────────────── v0.2.1 Installed CompactBases ──────────────── v0.3.14 Installed InfiniteArrays ────────────── v0.12.15 Installing 1 artifacts Installed artifact OpenSpecFun 194.9 KiB Updating `~/.julia/environments/v1.13/Project.toml` [e24b7630] + AtomicStructure v0.1.8 Updating `~/.julia/environments/v1.13/Manifest.toml` [621f4979] + AbstractFFTs v1.5.0 [7d9f7c33] + Accessors v0.1.42 [79e6a3ab] + Adapt v4.4.0 [66dad0bd] + AliasTables v1.1.3 [0bb1b1ac] + AngularMomentumAlgebra v0.3.2 ⌅ [ec485272] + ArnoldiMethod v0.2.0 ⌃ [4fba245c] + ArrayInterface v7.10.0 [4c555306] + ArrayLayouts v1.11.2 ⌃ [10933b4c] + AtomicLevels v0.1.10 [e24b7630] + AtomicStructure v0.1.8 ⌅ [aae01518] + 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ProgressMeter v1.11.0 [43287f4e] + PtrArrays v1.3.0 ⌅ [c4ea9172] + QuasiArrays v0.9.8 [308eb6b3] + RationalRoots v0.2.1 [3cdcf5f2] + RecipesBase v1.3.4 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [f2b01f46] + Roots v2.2.10 [efcf1570] + Setfield v1.1.2 [619b3e1a] + SolverTraces v0.1.3 [a2af1166] + SortingAlgorithms v1.2.2 [276daf66] + SpecialFunctions v2.5.1 [90137ffa] + StaticArrays v1.9.15 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.1 [2913bbd2] + StatsBase v0.34.6 [892a3eda] + StringManipulation v0.4.1 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [3a884ed6] + UnPack v1.0.2 [1cfade01] + UnicodeFun v0.4.1 [1986cc42] + Unitful v1.25.0 [a7773ee8] + UnitfulAtomic v1.0.0 [9f57e263] + WignerSymbols v2.0.0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [de0858da] + Printf v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.11.0 [4607b0f0] + SuiteSparse [fa267f1f] + TOML v1.0.3 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.7+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [8e850b90] + libblastrampoline_jll v5.13.1+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m` Installation completed after 10.1s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling packages... 4704.0 ms ✓ TestEnv 1 dependency successfully precompiled in 5 seconds. 27 already precompiled. Precompiling package dependencies... Precompilation completed after 560.4s ################################################################################ # Testing # Testing AtomicStructure Status `/tmp/jl_tNnVw0/Project.toml` [0bb1b1ac] AngularMomentumAlgebra v0.3.2 ⌅ [ec485272] ArnoldiMethod v0.2.0 [4c555306] ArrayLayouts v1.11.2 ⌃ [10933b4c] AtomicLevels v0.1.10 [e24b7630] AtomicStructure v0.1.8 ⌅ [aae01518] BandedMatrices v0.17.38 ⌅ [ffab5731] BlockBandedMatrices v0.12.10 [2c0377a8] CompactBases v0.3.14 [34da2185] Compat v4.18.1 ⌅ [7ae1f121] ContinuumArrays v0.12.6 [42e5845a] CoulombIntegrals v0.1.5 [a8cc5b0e] Crayons v4.1.1 [f4b57a2e] EnergyExpressions v0.1.4 [1a297f60] FillArrays v1.14.0 [59287772] Formatting v0.4.3 [f0d1745a] HalfIntegers v1.6.0 [8197267c] IntervalSets v0.7.11 [42fd0dbc] IterativeSolvers v0.9.4 ⌅ [5078a376] LazyArrays v1.10.0 [d3d80556] LineSearches v7.4.0 ⌃ [429524aa] Optim v1.11.0 ⌅ [08abe8d2] PrettyTables v2.4.0 [92933f4c] ProgressMeter v1.11.0 ⌅ [c4ea9172] QuasiArrays v0.9.8 [f2b01f46] Roots v2.2.10 [619b3e1a] SolverTraces v0.1.3 [1cfade01] UnicodeFun v0.4.1 [1986cc42] Unitful v1.25.0 [a7773ee8] UnitfulAtomic v1.0.0 [9f57e263] WignerSymbols v2.0.0 [37e2e46d] LinearAlgebra v1.13.0 [2f01184e] SparseArrays v1.13.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_tNnVw0/Manifest.toml` [621f4979] AbstractFFTs v1.5.0 [7d9f7c33] Accessors v0.1.42 [79e6a3ab] Adapt v4.4.0 [66dad0bd] AliasTables v1.1.3 [0bb1b1ac] AngularMomentumAlgebra v0.3.2 ⌅ [ec485272] ArnoldiMethod v0.2.0 ⌃ [4fba245c] ArrayInterface v7.10.0 [4c555306] ArrayLayouts v1.11.2 ⌃ [10933b4c] AtomicLevels v0.1.10 [e24b7630] AtomicStructure v0.1.8 ⌅ [aae01518] BandedMatrices v0.17.38 ⌅ [8e7c35d0] BlockArrays v0.16.43 ⌅ [ffab5731] BlockBandedMatrices v0.12.10 [861a8166] Combinatorics v1.0.3 [38540f10] CommonSolve v0.2.4 [bbf7d656] CommonSubexpressions v0.3.1 [2c0377a8] CompactBases v0.3.14 [34da2185] Compat v4.18.1 [b152e2b5] CompositeTypes v0.1.4 [a33af91c] CompositionsBase v0.1.2 [187b0558] ConstructionBase v1.6.0 ⌅ [7ae1f121] ContinuumArrays v0.12.6 [42e5845a] CoulombIntegrals v0.1.5 [a8cc5b0e] Crayons v4.1.1 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.19.1 [e2d170a0] DataValueInterfaces v1.0.0 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [ffbed154] DocStringExtensions v0.9.5 ⌅ [5b8099bc] DomainSets v0.6.7 [f4b57a2e] EnergyExpressions v0.1.4 ⌅ [442a2c76] FastGaussQuadrature v0.5.1 [1a297f60] FillArrays v1.14.0 ⌃ [6a86dc24] FiniteDiff v2.23.1 [1fa38f19] Format v1.3.7 [59287772] Formatting v0.4.3 ⌅ [f6369f11] ForwardDiff v0.10.39 [f0d1745a] HalfIntegers v1.6.0 ⌅ [4858937d] InfiniteArrays v0.12.15 [e1ba4f0e] Infinities v0.1.11 [18e54dd8] IntegerMathUtils v0.1.3 [8197267c] IntervalSets v0.7.11 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.4 [42fd0dbc] IterativeSolvers v0.9.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.1 [8ac3fa9e] LRUCache v1.6.2 [b964fa9f] LaTeXStrings v1.4.0 ⌅ [5078a376] LazyArrays v1.10.0 [d3d80556] 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StatsBase v0.34.6 [892a3eda] StringManipulation v0.4.1 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [3a884ed6] UnPack v1.0.2 [1cfade01] UnicodeFun v0.4.1 [1986cc42] Unitful v1.25.0 [a7773ee8] UnitfulAtomic v1.0.0 [9f57e263] WignerSymbols v2.0.0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [7b1f6079] FileWatching v1.11.0 [9fa8497b] Future v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.12.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [de0858da] Printf v1.11.0 [3fa0cd96] REPL v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [6462fe0b] Sockets v1.11.0 [2f01184e] SparseArrays v1.13.0 [f489334b] StyledStrings v1.11.0 [4607b0f0] SuiteSparse [fa267f1f] TOML v1.0.3 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.7+0 [bea87d4a] SuiteSparse_jll v7.10.1+0 [8e850b90] libblastrampoline_jll v5.13.1+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. Testing Running tests... ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=Staggered finite differences basis {Float64} on 0.0 .. 50.025 with 333 points spaced by ρ = 0.15; Z = 1 [hydrogen]; 1 e⁻ ⇒ Q = 0) with 6 NonRelativisticCSF{Orbital{Int64}, Seniority}s │ │ ╭ Diagonalizing symmetry ℓ = d, maximum n = 3 => 1 eigenvalues required │ │ Target eigenvalue: ≤ -0.05555555555555555 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 1 of 1 eigenvalues in 20 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ ╰ -0.0555563 -0.0555556 -7.709e-07 │ │ │ ╭ Diagonalizing symmetry ℓ = p, maximum n = 3 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -0.125 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 2 of 2 eigenvalues in 29 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.1249999 -0.1250000 +6.181e-08 │ ╰ -0.0555594 -0.0555556 -3.837e-06 │ │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 3 => 3 eigenvalues required │ │ Target eigenvalue: ≤ -0.5 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 3 of 3 eigenvalues in 46 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.5000112 -0.5000000 -1.117e-05 │ │ -0.1250039 -0.1250000 -3.880e-06 │ ╰ -0.0555646 -0.0555556 -9.007e-06 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼─────────────────────── │ │ 1s │ 0.387298 1.110e-16 │ │ 2s │ 0.387298 1.110e-16 │ │ 2p │ 0.387298 0.000e+00 │ │ 3s │ 0.387298 0.000e+00 │ │ 3p │ 0.387298 0.000e+00 │ │ 3d │ 0.387298 -2.220e-16 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ───────────────┼────────────────── │ │ 1s(₁²S|²S)+ │ 1.0 -1.110e-16 │ │ 2s(₁²S|²S)+ │ 1.0 -1.110e-16 │ │ 2p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ │ 3s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 3p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ ╰ 3d(₁²D|²D)+ │ 1.0 2.220e-16 ╰ ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=Staggered finite differences basis {Float64} on 0.0 .. 50.025 with 333 points spaced by ρ = 0.15; Z = 1 [hydrogen]; 1 e⁻ ⇒ Q = 0) with 6 NonRelativisticCSF{Orbital{Int64}, Seniority}s │ │ ╭ Diagonalizing symmetry ℓ = d, maximum n = 3 => 1 eigenvalues required │ │ Target eigenvalue: ≤ -0.05555555555555555 Ha │ │ Diagonalizing via arnoldi │ │ Converged: 1 of 1 eigenvalues in 860 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ ╰ -0.0555563 -0.0555556 -7.709e-07 │ │ │ ╭ Diagonalizing symmetry ℓ = p, maximum n = 3 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -0.125 Ha │ │ Diagonalizing via arnoldi │ │ Converged: 2 of 2 eigenvalues in 759 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.1249999 -0.1250000 +6.181e-08 │ ╰ -0.0555594 -0.0555556 -3.837e-06 │ │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 3 => 3 eigenvalues required │ │ Target eigenvalue: ≤ -0.5 Ha │ │ Diagonalizing via arnoldi │ │ Converged: 3 of 3 eigenvalues in 665 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.5000112 -0.5000000 -1.117e-05 │ │ -0.1250039 -0.1250000 -3.880e-06 │ ╰ -0.0555646 -0.0555556 -9.007e-06 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s │ 0.387298 0.000e+00 │ │ 2s │ 0.387298 0.000e+00 │ │ 2p │ 0.387298 0.000e+00 │ │ 3s │ 0.387298 1.110e-16 │ │ 3p │ 0.387298 0.000e+00 │ │ 3d │ 0.387298 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ───────────────┼────────────────── │ │ 1s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 2s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 2p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ │ 3s(₁²S|²S)+ │ 1.0 -1.110e-16 │ │ 3p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ ╰ 3d(₁²D|²D)+ │ 1.0 0.000e+00 ╰ ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=FEDVR{Float64} basis with 19 elements on 0.0 .. 50.0, restricted to elements 1:19, basis functions 2..176 ⊂ 1..177; Z = 1 [hydrogen]; 1 e⁻ ⇒ Q = 0) with 6 NonRelativisticCSF{Orbital{Int64}, Seniority}s │ │ ╭ Diagonalizing symmetry ℓ = d, maximum n = 3 => 1 eigenvalues required │ │ Target eigenvalue: ≤ -0.05555555555555555 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 1 of 1 eigenvalues in 20 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ ╰ -0.0555556 -0.0555556 +1.149e-09 │ │ │ ╭ Diagonalizing symmetry ℓ = p, maximum n = 3 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -0.125 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 2 of 2 eigenvalues in 29 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.1250000 -0.1250000 +1.388e-16 │ ╰ -0.0555556 -0.0555556 +4.398e-09 │ │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 3 => 3 eigenvalues required │ │ Target eigenvalue: ≤ -0.5 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 3 of 3 eigenvalues in 46 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.5000000 -0.5000000 +1.443e-15 │ │ -0.1250000 -0.1250000 -2.887e-15 │ ╰ -0.0555555 -0.0555556 +7.694e-09 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s │ 1.0 0.000e+00 │ │ 2s │ 1.0 0.000e+00 │ │ 2p │ 1.0 0.000e+00 │ │ 3s │ 1.0 0.000e+00 │ │ 3p │ 1.0 0.000e+00 │ │ 3d │ 1.0 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ───────────────┼───────────────── │ │ 1s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 2s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 2p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ │ 3s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 3p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ ╰ 3d(₁²D|²D)+ │ 1.0 0.000e+00 ╰ ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=FEDVR{Float64} basis with 19 elements on 0.0 .. 50.0, restricted to elements 1:19, basis functions 2..176 ⊂ 1..177; Z = 1 [hydrogen]; 1 e⁻ ⇒ Q = 0) with 6 NonRelativisticCSF{Orbital{Int64}, Seniority}s │ │ ╭ Diagonalizing symmetry ℓ = d, maximum n = 3 => 1 eigenvalues required │ │ Target eigenvalue: ≤ -0.05555555555555555 Ha │ │ Diagonalizing via arnoldi │ │ Converged: 1 of 1 eigenvalues in 1680 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ ╰ -0.0555556 -0.0555556 +1.148e-09 │ │ │ ╭ Diagonalizing symmetry ℓ = p, maximum n = 3 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -0.125 Ha │ │ Diagonalizing via arnoldi │ │ Converged: 2 of 2 eigenvalues in 1725 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.1250000 -0.1250000 +4.137e-13 │ ╰ -0.0555556 -0.0555556 +4.398e-09 │ │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 3 => 3 eigenvalues required │ │ Target eigenvalue: ≤ -0.5 Ha │ │ Diagonalizing via arnoldi │ │ Converged: 3 of 3 eigenvalues in 1103 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.5000000 -0.5000000 -1.547e-13 │ │ -0.1250000 -0.1250000 +7.949e-14 │ ╰ -0.0555555 -0.0555556 +7.695e-09 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s │ 1.0 1.110e-16 │ │ 2s │ 1.0 0.000e+00 │ │ 2p │ 1.0 0.000e+00 │ │ 3s │ 1.0 0.000e+00 │ │ 3p │ 1.0 0.000e+00 │ │ 3d │ 1.0 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ───────────────┼────────────────── │ │ 1s(₁²S|²S)+ │ 1.0 -1.110e-16 │ │ 2s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 2p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ │ 3s(₁²S|²S)+ │ 1.0 0.000e+00 │ │ 3p(₁²Pᵒ|²Pᵒ)- │ 1.0 0.000e+00 │ ╰ 3d(₁²D|²D)+ │ 1.0 0.000e+00 ╰ ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=Staggered finite differences basis {Float64} on 0.0 .. 300.0625 with 2400 points spaced by ρ = 0.125; Z = 2 [helium]; 2 e⁻ ⇒ Q = 0) with 11 NonRelativisticCSF{Orbital{Int64}, Seniority}s │ │ ╭ Diagonalizing symmetry ℓ = d, maximum n = 5 => 3 eigenvalues required │ │ Target eigenvalue: ≤ -0.2222222222222222 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 3 of 3 eigenvalues in 46 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.2222308 -0.2222222 -8.586e-06 │ │ -0.1250122 -0.1250000 -1.222e-05 │ ╰ -0.0800112 -0.0800000 -1.115e-05 │ │ │ ╭ Diagonalizing symmetry ℓ = p, maximum n = 3 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -0.5 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 2 of 2 eigenvalues in 38 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.4999981 -0.5000000 +1.907e-06 │ ╰ -0.2222646 -0.2222222 -4.234e-05 │ │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 5 => 5 eigenvalues required │ │ Target eigenvalue: ≤ -2.0 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 5 of 5 eigenvalues in 135 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -2.0000548 -2.0000000 -5.482e-05 │ │ -0.5000726 -0.5000000 -7.261e-05 │ │ -0.2223335 -0.2222222 -1.112e-04 │ │ -0.1250724 -0.1250000 -7.243e-05 │ ╰ -0.0800460 -0.0800000 -4.599e-05 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s │ 0.353553 0.000e+00 │ │ 2s │ 0.353553 0.000e+00 │ │ 2p │ 0.353553 0.000e+00 │ │ 3s │ 0.353553 1.110e-16 │ │ 3p │ 0.353553 0.000e+00 │ │ 3d │ 0.353553 1.110e-16 │ │ 4s │ 0.353553 0.000e+00 │ │ 5s │ 0.353553 0.000e+00 │ │ 5d │ 0.353553 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ──────────────────────────┼────────────────── │ │ 1s²(₀¹S|¹S)+ │ 1.0 0.000e+00 │ │ 1s(₁²S|²S) 2s(₁²S|¹S)+ │ 1.0 0.000e+00 │ │ 1s(₁²S|²S) 2s(₁²S|³S)+ │ 1.0 0.000e+00 │ │ 1s(₁²S|²S) 2p(₁²Pᵒ|¹Pᵒ)- │ 1.0 0.000e+00 │ │ 1s(₁²S|²S) 2p(₁²Pᵒ|³Pᵒ)- │ 1.0 0.000e+00 │ │ 3s(₁²S|²S) 3p(₁²Pᵒ|¹Pᵒ)- │ 1.0 -1.110e-16 │ │ 3s(₁²S|²S) 3p(₁²Pᵒ|³Pᵒ)- │ 1.0 -1.110e-16 │ │ 4s(₁²S|²S) 3d(₁²D|¹D)+ │ 1.0 -1.110e-16 │ │ 4s(₁²S|²S) 3d(₁²D|³D)+ │ 1.0 -1.110e-16 │ │ 5s(₁²S|²S) 5d(₁²D|¹D)+ │ 1.0 0.000e+00 │ ╰ 5s(₁²S|²S) 5d(₁²D|³D)+ │ 1.0 0.000e+00 ╰ ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=Staggered finite differences basis {Float64} on 0.0 .. 300.0625 with 2400 points spaced by ρ = 0.125; Z = 2 [helium]; 2 e⁻ ⇒ Q = 0) with 69 SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}s │ │ ╭ Diagonalizing symmetry ℓ = d, maximum n = 5 => 3 eigenvalues required │ │ Target eigenvalue: ≤ -0.2222222222222222 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 3 of 3 eigenvalues in 46 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.2222308 -0.2222222 -8.586e-06 │ │ -0.1250122 -0.1250000 -1.222e-05 │ ╰ -0.0800112 -0.0800000 -1.115e-05 │ │ │ ╭ Diagonalizing symmetry ℓ = p, maximum n = 3 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -0.5 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 2 of 2 eigenvalues in 38 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -0.4999981 -0.5000000 +1.907e-06 │ ╰ -0.2222646 -0.2222222 -4.234e-05 │ │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 5 => 5 eigenvalues required │ │ Target eigenvalue: ≤ -2.0 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 5 of 5 eigenvalues in 135 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -2.0000548 -2.0000000 -5.482e-05 │ │ -0.5000726 -0.5000000 -7.261e-05 │ │ -0.2223335 -0.2222222 -1.112e-04 │ │ -0.1250724 -0.1250000 -7.243e-05 │ ╰ -0.0800460 -0.0800000 -4.599e-05 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s₀α │ 0.353553 0.000e+00 │ │ 1s₀β │ 0.353553 0.000e+00 │ │ 2s₀α │ 0.353553 0.000e+00 │ │ 2s₀β │ 0.353553 0.000e+00 │ │ 2p₋₁α │ 0.353553 0.000e+00 │ │ 2p₋₁β │ 0.353553 0.000e+00 │ │ 2p₀α │ 0.353553 0.000e+00 │ │ 2p₀β │ 0.353553 0.000e+00 │ │ 2p₁α │ 0.353553 0.000e+00 │ │ 2p₁β │ 0.353553 0.000e+00 │ │ 3s₀α │ 0.353553 1.110e-16 │ │ 3s₀β │ 0.353553 1.110e-16 │ │ 3p₋₁α │ 0.353553 0.000e+00 │ │ 3p₋₁β │ 0.353553 0.000e+00 │ │ 3p₀α │ 0.353553 0.000e+00 │ │ 3p₀β │ 0.353553 0.000e+00 │ │ 3p₁α │ 0.353553 0.000e+00 │ │ 3p₁β │ 0.353553 0.000e+00 │ │ 3d₋₂α │ 0.353553 1.110e-16 │ │ 3d₋₂β │ 0.353553 1.110e-16 │ │ 3d₋₁α │ 0.353553 1.110e-16 │ │ 3d₋₁β │ 0.353553 1.110e-16 │ │ 3d₀α │ 0.353553 1.110e-16 │ │ 3d₀β │ 0.353553 1.110e-16 │ │ 3d₁α │ 0.353553 1.110e-16 │ │ 3d₁β │ 0.353553 1.110e-16 │ │ 3d₂α │ 0.353553 1.110e-16 │ │ 3d₂β │ 0.353553 1.110e-16 │ │ 4s₀α │ 0.353553 0.000e+00 │ │ 4s₀β │ 0.353553 0.000e+00 │ │ 5s₀α │ 0.353553 0.000e+00 │ │ 5s₀β │ 0.353553 0.000e+00 │ │ 5d₋₂α │ 0.353553 0.000e+00 │ │ 5d₋₂β │ 0.353553 0.000e+00 │ │ 5d₋₁α │ 0.353553 0.000e+00 │ │ 5d₋₁β │ 0.353553 0.000e+00 │ │ 5d₀α │ 0.353553 0.000e+00 │ │ 5d₀β │ 0.353553 0.000e+00 │ │ 5d₁α │ 0.353553 0.000e+00 │ │ 5d₁β │ 0.353553 0.000e+00 │ │ 5d₂α │ 0.353553 0.000e+00 │ │ 5d₂β │ 0.353553 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ────────────┼────────────────── │ │ 1s₀α 1s₀β │ 1.0 0.000e+00 │ │ 1s₀α 2s₀α │ 1.0 0.000e+00 │ │ 1s₀α 2s₀β │ 1.0 0.000e+00 │ │ 1s₀α 2p₋₁α │ 1.0 0.000e+00 │ │ 1s₀α 2p₋₁β │ 1.0 0.000e+00 │ │ 1s₀α 2p₀α │ 1.0 0.000e+00 │ │ 1s₀α 2p₀β │ 1.0 0.000e+00 │ │ 1s₀α 2p₁α │ 1.0 0.000e+00 │ │ 1s₀α 2p₁β │ 1.0 0.000e+00 │ │ 1s₀β 2s₀α │ 1.0 0.000e+00 │ │ 1s₀β 2s₀β │ 1.0 0.000e+00 │ │ 1s₀β 2p₋₁α │ 1.0 0.000e+00 │ │ 1s₀β 2p₋₁β │ 1.0 0.000e+00 │ │ 1s₀β 2p₀α │ 1.0 0.000e+00 │ │ 1s₀β 2p₀β │ 1.0 0.000e+00 │ │ 1s₀β 2p₁α │ 1.0 0.000e+00 │ │ 1s₀β 2p₁β │ 1.0 0.000e+00 │ │ 3s₀α 3p₋₁α │ 1.0 -1.110e-16 │ │ 3s₀α 3p₋₁β │ 1.0 -1.110e-16 │ │ 3s₀α 3p₀α │ 1.0 -1.110e-16 │ │ 3s₀α 3p₀β │ 1.0 -1.110e-16 │ │ 3s₀α 3p₁α │ 1.0 -1.110e-16 │ │ 3s₀α 3p₁β │ 1.0 -1.110e-16 │ │ 3s₀β 3p₋₁α │ 1.0 -1.110e-16 │ │ 3s₀β 3p₋₁β │ 1.0 -1.110e-16 │ │ 3s₀β 3p₀α │ 1.0 -1.110e-16 │ │ 3s₀β 3p₀β │ 1.0 -1.110e-16 │ │ 3s₀β 3p₁α │ 1.0 -1.110e-16 │ │ 3s₀β 3p₁β │ 1.0 -1.110e-16 │ │ 4s₀α 3d₋₂α │ 1.0 -1.110e-16 │ │ 4s₀β 3d₋₂α │ 1.0 -1.110e-16 │ │ 4s₀α 3d₋₂β │ 1.0 -1.110e-16 │ │ 4s₀β 3d₋₂β │ 1.0 -1.110e-16 │ │ 4s₀α 3d₋₁α │ 1.0 -1.110e-16 │ │ 4s₀β 3d₋₁α │ 1.0 -1.110e-16 │ │ 4s₀α 3d₋₁β │ 1.0 -1.110e-16 │ │ 4s₀β 3d₋₁β │ 1.0 -1.110e-16 │ │ 4s₀α 3d₀α │ 1.0 -1.110e-16 │ │ 4s₀β 3d₀α │ 1.0 -1.110e-16 │ │ 4s₀α 3d₀β │ 1.0 -1.110e-16 │ │ 4s₀β 3d₀β │ 1.0 -1.110e-16 │ │ 4s₀α 3d₁α │ 1.0 -1.110e-16 │ │ 4s₀β 3d₁α │ 1.0 -1.110e-16 │ │ 4s₀α 3d₁β │ 1.0 -1.110e-16 │ │ 4s₀β 3d₁β │ 1.0 -1.110e-16 │ │ 4s₀α 3d₂α │ 1.0 -1.110e-16 │ │ 4s₀β 3d₂α │ 1.0 -1.110e-16 │ │ 4s₀α 3d₂β │ 1.0 -1.110e-16 │ │ 4s₀β 3d₂β │ 1.0 -1.110e-16 │ │ 5s₀α 5d₋₂α │ 1.0 0.000e+00 │ │ 5s₀α 5d₋₂β │ 1.0 0.000e+00 │ │ 5s₀α 5d₋₁α │ 1.0 0.000e+00 │ │ 5s₀α 5d₋₁β │ 1.0 0.000e+00 │ │ 5s₀α 5d₀α │ 1.0 0.000e+00 │ │ 5s₀α 5d₀β │ 1.0 0.000e+00 │ │ 5s₀α 5d₁α │ 1.0 0.000e+00 │ │ 5s₀α 5d₁β │ 1.0 0.000e+00 │ │ 5s₀α 5d₂α │ 1.0 0.000e+00 │ │ 5s₀α 5d₂β │ 1.0 0.000e+00 │ │ 5s₀β 5d₋₂α │ 1.0 0.000e+00 │ │ 5s₀β 5d₋₂β │ 1.0 0.000e+00 │ │ 5s₀β 5d₋₁α │ 1.0 0.000e+00 │ │ 5s₀β 5d₋₁β │ 1.0 0.000e+00 │ │ 5s₀β 5d₀α │ 1.0 0.000e+00 │ │ 5s₀β 5d₀β │ 1.0 0.000e+00 │ │ 5s₀β 5d₁α │ 1.0 0.000e+00 │ │ 5s₀β 5d₁β │ 1.0 0.000e+00 │ │ 5s₀β 5d₂α │ 1.0 0.000e+00 │ ╰ 5s₀β 5d₂β │ 1.0 0.000e+00 ╰ Hydrogen: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:86 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:40 [15] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:82 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:87 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:100 [inlined] [21] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:72 [inlined] [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ none:6 [27] eval(m::Module, e::Any) @ Core ./boot.jl:489 [28] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [29] _start() @ Base ./client.jl:577 ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=Staggered finite differences basis {Float64} on 0.0 .. 300.375 with 1201 points spaced by ρ = 0.25; Z = 2 [helium]; 2 e⁻ ⇒ Q = 0) with 1 SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}} │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 1 => 1 eigenvalues required │ │ Target eigenvalue: ≤ -2.0 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 1 of 1 eigenvalues in 20 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ ╰ -1.9981975 -2.0000000 +1.803e-03 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s₀α │ 0.5 0.000e+00 │ │ 1s₀β │ 0.5 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ───────────┼───────────────── │ ╰ 1s₀α 1s₀β │ 1.0 0.000e+00 ╰ [ Info: Generating energy expression Arnoldi: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:133 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, ProgressMeter.Progress, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, ProgressMeter.Progress, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, ProgressMeter.Progress, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Float64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] kwcall(::@NamedTuple{verbosity::Float64}, ::Type{Matrix}, H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{verbosity::Float64}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] kwcall(::@NamedTuple{verbosity::Float64}, ::Type{Fock}, quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:40 [15] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:82 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:129 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:134 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:134 [inlined] [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:72 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 [ Info: Generating energy expression LOBPCG: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:150 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, ProgressMeter.Progress, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, ProgressMeter.Progress, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, ProgressMeter.Progress, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Float64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] kwcall(::@NamedTuple{verbosity::Float64}, ::Type{Matrix}, H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{verbosity::Float64}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] kwcall(::@NamedTuple{verbosity::Float64}, ::Type{Fock}, quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:40 [15] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:82 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:129 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:151 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:151 [inlined] [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:72 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ╭ Hydrogenic initialization of the orbitals of Atom{Float64}(R=Staggered finite differences basis {Float64} on 0.0 .. 15.123721500118585 with 251 points with spacing varying from 0.05003749531289061 to 0.07087053705344992; Z = 4 [beryllium]; 4 e⁻ ⇒ Q = 0) with 1 SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}} │ │ ╭ Diagonalizing symmetry ℓ = s, maximum n = 2 => 2 eigenvalues required │ │ Target eigenvalue: ≤ -8.0 Ha │ │ Diagonalizing via arnoldi_shift_invert │ │ Converged: 2 of 2 eigenvalues in 38 matrix-vector products │ │ │ │  Hydrogenic energies [Ha]  Analytic energies [Ha]  Δ [Ha] │ │ ────────────────────────────────────────────────────────────── │ │ -8.0002890 -8.0000000 -2.890e-04 │ ╰ -2.0001549 -2.0000000 -1.549e-04 │ │ ╭ Norms │ │  Orbital │ Initial n  1-n │ │ ─────────┼────────────────────── │ │ 1s₀α │ 1.0 0.000e+00 │ │ 1s₀β │ 1.0 0.000e+00 │ │ 2s₀α │ 1.0 0.000e+00 │ │ 2s₀β │ 1.0 0.000e+00 │ │ │ │  Cfg │ Norm  Norm-1 │ │ ─────────────────────┼───────────────── │ ╰ 1s₀α 1s₀β 2s₀α 2s₀β │ 1.0 0.000e+00 ╰ Beryllium: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:161 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:40 [15] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:82 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:162 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/structure_setup.jl:169 [inlined] [21] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:72 [inlined] [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ none:6 [27] eval(m::Module, e::Any) @ Core ./boot.jl:489 [28] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [29] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Finite differences basis {Float64} on 0.0 .. 10.05 with 200 points spaced by Δx = 0.05 fd_uniform: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(identity)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 10.024999999999999 with 200 points spaced by ρ = 0.05 fd_staggered: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(identity)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 10.092514926909454 with 182 points with spacing varying from 0.050027499312511485 to 0.06085924094727346 fd_loglin: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(identity)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Implicit finite differences basis {Float64} on 0.0 .. 10.05 with 200 points spaced by Δx = 0.05 implicit_fd: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, ImplicitFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, ImplicitFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, ImplicitFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(identity)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = FEDVR{Float64} basis with 9 elements on 0.0 .. 10.0, restricted to elements 1:9, basis functions 2..86 ⊂ 1..87 fedvr: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(identity)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = BSpline{Float64} basis with typename(ArbitraryKnotSet)(Float64) of order k = 4 (cubic) on 0.0 .. 10.0 (18 intervals), restricted to basis functions 2..20 ⊂ 1..21 bsplines: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, m::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(identity), scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, m::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Finite differences basis {Float64} on 0.0 .. 10.05 with 200 points spaced by Δx = 0.05 fd_uniform: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(relconfigurations)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 10.024999999999999 with 200 points spaced by ρ = 0.05 fd_staggered: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(relconfigurations)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 10.092514926909454 with 182 points with spacing varying from 0.050027499312511485 to 0.06085924094727346 fd_loglin: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(relconfigurations)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = Implicit finite differences basis {Float64} on 0.0 .. 10.05 with 200 points spaced by Δx = 0.05 implicit_fd: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, ImplicitFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, ImplicitFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, ImplicitFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(relconfigurations)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = FEDVR{Float64} basis with 9 elements on 0.0 .. 10.0, restricted to elements 1:9, basis functions 2..86 ⊂ 1..87 fedvr: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(relconfigurations)}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 2 [helium] └ R = BSpline{Float64} basis with typename(ArbitraryKnotSet)(Float64) of order k = 4 (cubic) on 0.0 .. 10.0 (18 intervals), restricted to basis functions 2..20 ⊂ 1..21 bsplines: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, m::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, config_transform::typeof(relconfigurations), scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, m::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:154 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:146 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:142 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [28] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 3 [lithium] └ R = Finite differences basis {Float64} on 0.0 .. 20.033333333333335 with 600 points spaced by Δx = 0.03333333333333333 fd_uniform: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:170 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 3 [lithium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 20.01666666666667 with 600 points spaced by ρ = 0.03333333333333333 fd_staggered: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:170 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 3 [lithium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 20.072235624712437 with 755 points with spacing varying from 0.01667638880787082 to 0.03953184006476107 fd_loglin: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, Vector{Float64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:170 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 3 [lithium] └ R = FEDVR{Float64} basis with 9 elements on 0.0 .. 20.0, restricted to elements 1:9, basis functions 2..86 ⊂ 1..87 fedvr: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:170 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 3 [lithium] └ R = BSpline{Float64} basis with typename(ArbitraryKnotSet)(Float64) of order k = 4 (cubic) on 0.0 .. 20.0 (23 intervals), restricted to basis functions 2..25 ⊂ 1..26 bsplines: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, BSpline{Float64, Float64, ArbitraryKnotSet{4, 4, 4, Float64, Vector{Float64}}, Vector{Float64}, Vector{Float64}, SparseArrays.SparseMatrixCSC{Float64, Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Matrix{Float64}, Base.OneTo{Int64}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64, m::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, update_mixing_coefficients::Bool, scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64, m::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:170 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:162 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 4 [beryllium] └ R = FEDVR{Float64} basis with 7 elements on 0.0 .. 15.0, restricted to elements 1:7, basis functions 2..68 ⊂ 1..69 fedvr: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:183 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, intervals::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, linesearch::MoreThuente{Float64}, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, linesearch::MoreThuente{Float64}, scf_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, intervals::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:187 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:183 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:183 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 4 [beryllium] └ R = Staggered finite differences basis {Float64} on 0.0 .. 15.024999999999999 with 300 points spaced by ρ = 0.05 fd_staggered: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:183 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, StaggeredFiniteDifferences{Float64, StepRangeLen{Float64, Base.TwicePrecision{Float64}, Base.TwicePrecision{Float64}, Int64}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}, BandedMatrices.BandedMatrix{Float64, Fill{Float64, 2, Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}}}, Base.OneTo{Int64}}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, linesearch::MoreThuente{Float64}, scf_method::Symbol}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, linesearch::MoreThuente{Float64}, scf_method::Symbol}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{ρ::Float64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:187 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:183 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:183 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 10 [neon] └ R = FEDVR{Float64} basis with 5 elements on 0.0 .. 10.0, restricted to elements 1:5, basis functions 2..50 ⊂ 1..51 Z = 10 [neon]: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:194 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, intervals::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, ωmax::Float64, scf_method::Symbol}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, ωmax::Float64, scf_method::Symbol}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, intervals::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:196 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:194 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:194 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = │ Effective core potential for Ne ([He]ᶜ 2s² 2p⁶), Z = 10 │ Long-range Q = 8, ℓ ∈ 0:3 │ Data from "A. Nicklass, M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 102, 8942 (1995)." │ ℓ k n β B │ ────────────────────────────── │ s 1 2 32.0299 112.528 │ ⋮ ⋮ ⋮ ⋮ ⋮ │ ────────────────────────────── │ 5 rows omitted │ └ R = FEDVR{Float64} basis with 5 elements on 0.0 .. 10.0, restricted to elements 1:5, basis functions 2..50 ⊂ 1..51 Effective core potential for Ne ([He]ᶜ 2s² 2p⁶), Z = 10: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:194 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, EffectiveCorePotential{Float64, false, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, EffectiveCorePotential{Float64, false, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, EffectiveCorePotential{Float64, false, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::EffectiveCorePotential{Float64, false, Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, intervals::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, ωmax::Float64, scf_method::Symbol}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, ωmax::Float64, scf_method::Symbol}, ::typeof(atom_calc), nucleus::EffectiveCorePotential{Float64, false, Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{k::Int64, intervals::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:196 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:194 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:194 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = Z = 18 [argon] └ R = FEDVR{Float64} basis with 34 elements on 0.0 .. 13.0, restricted to elements 1:34, basis functions 2..146 ⊂ 1..147 Argon: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:201 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, PointCharge{Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64, fedvr_extra::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{g_tol::Float64, scf_iters::Int64, opt_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{g_tol::Float64, scf_iters::Int64, opt_iters::Int64}, ::typeof(atom_calc), nucleus::PointCharge{Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64, fedvr_extra::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:206 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:206 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [21] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [24] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [25] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [26] top-level scope @ none:6 [27] eval(m::Module, e::Any) @ Core ./boot.jl:489 [28] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [29] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = │ Effective core potential for Xe ([Kr]ᶜ 4d¹⁰ᶜ 5s² 5p⁶), Z = 54 │ Long-range Q = 8, ℓ ∈ 0:4 │ Data from "A. Nicklass, M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 102, 8942 (1995)." │ ℓ k n β B │ ──────────────────────────── │ s 1 2 3.8156 122.762 │ ⋮ ⋮ ⋮ ⋮ ⋮ │ ──────────────────────────── │ 8 rows omitted │ └ R = FEDVR{Float64} basis with 9 elements on 0.0 .. 7.0, restricted to elements 1:9, basis functions 2..41 ⊂ 1..42 Effective core potential for Xe ([Kr]ᶜ 4d¹⁰ᶜ 5s² 5p⁶), Z = 54 — fedvr: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:211 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, EffectiveCorePotential{Float64, false, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, EffectiveCorePotential{Float64, false, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}, SpinConfiguration{SpinOrbital{Orbital{Int64}, Tuple{Int64, Half{Int64}}}}, Vector{Float64}, EffectiveCorePotential{Float64, false, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::EffectiveCorePotential{Float64, false, Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(identity), kwargs::@Kwargs{ω::Float64, ωmax::Float64, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, ωmax::Float64, config_transform::typeof(identity), scf_iters::Int64}, ::typeof(atom_calc), nucleus::EffectiveCorePotential{Float64, false, Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:216 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:211 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:211 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 ┌ Info: HF accuracy check for │ nucleus = │ Relativistic effective core potential for Xe ([Ar]ᶜ 3d¹⁰ᶜ 4s² 4p⁶ 4d¹⁰ 5s² 5p⁶), Z = 54 │ Long-range Q = 26, κ₋ ∈ -1:-1:-4, κ₊ ∈ 1:3 │ Data from "K.A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg, J. Chem. Phys. 119, 11113 (2003)." │ ℓ j k n B β │ ──────────────────────────────── │ s 1/2 1 2 49.998 40.0052 │ ⋮ ⋮ ⋮ ⋮ ⋮ ⋮ │ ──────────────────────────────── │ 16 rows omitted │ └ R = FEDVR{Float64} basis with 9 elements on 0.0 .. 7.0, restricted to elements 1:9, basis functions 2..41 ⊂ 1..42 Relativistic effective core potential for Xe ([Ar]ᶜ 3d¹⁰ᶜ 4s² 4p⁶ 4d¹⁰ 5s² 5p⁶), Z = 54 — fedvr: Error During Test at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:211 Got exception outside of a @test TaskFailedException nested task error: LoadError: MethodError: no method matching _nloops(::Int64, ::Symbol, ::Expr, ::Expr, ::Expr) The function `_nloops` exists, but no method is defined for this combination of argument types. Closest candidates are: _nloops(::Int64, ::Symbol, !Matched::Bool, ::Expr, ::Expr...) @ Base cartesian.jl:46 _nloops(::Int64, ::Symbol, !Matched::Bool, !Matched::Symbol, ::Expr...) @ Base cartesian.jl:42 Stacktrace: [1] var"@anti_diagonal_loop"(__source__::LineNumberNode, __module__::Module, N::Any, itersym::Any, imax::Any, args::Vararg{Any}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/loop_macros.jl:102 [2] generated_body_to_codeinfo(ex::Expr, defmod::Module, isva::Bool) @ Base ./expr.jl:1801 [3] (::Core.GeneratedFunctionStub)(::UInt64, ::Method, ::Any, ::Vararg{Any}) @ Base ./expr.jl:1839 [4] EnergyExpressions.NBodyMatrixElement(a::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, op::FieldFreeOneBodyHamiltonian, b::Vector{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, nzcofactors::Base.Iterators.Zip{Tuple{Vector{Vector{Int64}}, Vector{Vector{Int64}}, Vector{EnergyExpressions.NBodyMatrixElement}}}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:621 [5] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::FieldFreeOneBodyHamiltonian, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:492 [6] EnergyExpressions.NBodyMatrixElement(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, op::EnergyExpressions.LinearCombinationOperator, i::Int64, j::Int64) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:500 [7] macro expansion @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:522 [inlined] [8] (::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}})(tid::Int64; onethread::Bool) @ EnergyExpressions ./threadingconstructs.jl:276 [9] #99 @ ./threadingconstructs.jl:243 [inlined] [10] (::Base.Threads.var"#threading_run##0#threading_run##1"{EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, Int64})() @ Base.Threads ./threadingconstructs.jl:177 in expression starting at /home/pkgeval/.julia/packages/EnergyExpressions/GwVcz/src/nbody_matrix_elements.jl:596 Stacktrace: [1] threading_run(fun::EnergyExpressions.var"#99#100"{EnergyExpressions.var"#101#102"{BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, UnitRange{Int64}, EnergyExpressions.LinearCombinationOperator, UnitRange{Int64}, Nothing, Vector{Vector{EnergyExpressions.NBodyMatrixElement}}, Vector{Vector{Int64}}, Vector{Vector{Int64}}, Base.OneTo{Int64}}}, static::Bool) @ Base.Threads ./threadingconstructs.jl:196 [2] macro expansion @ ./threadingconstructs.jl:213 [inlined] [3] (Matrix)(bcs::BitConfigurations{EnergyExpressions.Orbitals{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SparseArrays.SparseMatrixCSC{EnergyExpressions.NBodyTerm, Int64}, BitMatrix, BitVector}}, rows::UnitRange{Int64}, op::EnergyExpressions.LinearCombinationOperator, cols::UnitRange{Int64}; verbosity::Int64, kwargs::@Kwargs{}) @ EnergyExpressions ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:518 [4] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:506 [inlined] [5] #Matrix#103 @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:541 [inlined] [6] Array @ ~/.julia/packages/EnergyExpressions/GwVcz/src/bit_configurations.jl:539 [inlined] [7] #Matrix#21 @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:57 [inlined] [8] Array @ ~/.julia/packages/AngularMomentumAlgebra/XY8BC/src/energy_expressions.jl:53 [inlined] [9] (Matrix)(H::EnergyExpressions.LinearCombinationOperator, atom::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, RelativisticEffectiveCorePotential{Float64, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:284 [10] #diff#207 @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:293 [inlined] [11] diff @ ~/.julia/packages/AtomicStructure/DDEEr/src/equations.jl:291 [inlined] [12] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, RelativisticEffectiveCorePotential{Float64, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}; kwargs::@Kwargs{}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [13] Fock(quantum_system::Atom{Float64, FEDVR{Float64, Float64, ApplyArray{Int64, 1, typeof(vcat), Tuple{Int64, Fill{Int64, 1, Tuple{Base.OneTo{Int64}}}}}}, SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}, SpinConfiguration{SpinOrbital{RelativisticOrbital{Int64}, Tuple{Half{Int64}}}}, Vector{Float64}, RelativisticEffectiveCorePotential{Float64, Int64}, Diagonal{Float64, Ones{Float64, 1, Tuple{Base.OneTo{Int64}}}}, UniformScaling{Bool}}) @ AtomicStructure.SCF ~/.julia/packages/AtomicStructure/DDEEr/src/SCF/fock.jl:23 [14] atom_calc(nucleus::RelativisticEffectiveCorePotential{Float64, Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64; config_transform::typeof(relconfigurations), kwargs::@Kwargs{ω::Float64, ωmax::Float64, scf_iters::Int64}) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:134 [15] kwcall(::@NamedTuple{ω::Float64, ωmax::Float64, config_transform::typeof(relconfigurations), scf_iters::Int64}, ::typeof(atom_calc), nucleus::RelativisticEffectiveCorePotential{Float64, Int64}, grid_type::Symbol, rₘₐₓ::Float64, grid_kwargs::@NamedTuple{intervals::Int64, k::Int64}, Δ::Float64, δ::Float64) @ Main ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:119 [16] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:216 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:2033 [inlined] [18] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:211 [inlined] [19] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [20] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:211 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [22] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/calculation_accuracy.jl:141 [23] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [24] top-level scope @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:70 [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [26] macro expansion @ ~/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:73 [inlined] [27] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [28] top-level scope @ none:6 [29] eval(m::Module, e::Any) @ Core ./boot.jl:489 [30] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [31] _start() @ Base ./client.jl:577 Test Summary: | Pass Error Total Time AtomicStructure.jl | 110 28 138 10m06.8s Potentials | 20 20 12.1s Structure setup | 80 4 84 5m33.9s Hydrogenic orbitals | 80 80 4m18.7s Hartree–Fock equations | 4 4 1m15.1s Hydrogen | 1 1 50.3s Helium | 2 2 7.1s Arnoldi | 1 1 4.1s LOBPCG | 1 1 0.2s Beryllium | 1 1 17.7s Calculation accuracy | 24 24 3m53.7s Helium | 12 12 3m08.6s Non-relativistic orbitals | 6 6 1m58.9s fd_uniform | 1 1 34.5s fd_staggered | 1 1 0.2s fd_loglin | 1 1 2.8s implicit_fd | 1 1 30.7s fedvr | 1 1 10.0s bsplines | 1 1 40.6s Relativistic orbitals | 6 6 1m09.7s fd_uniform | 1 1 30.1s fd_staggered | 1 1 6.9s fd_loglin | 1 1 9.2s implicit_fd | 1 1 6.8s fedvr | 1 1 9.0s bsplines | 1 1 7.7s Lithium | 5 5 1.3s fd_uniform | 1 1 0.2s fd_staggered | 1 1 0.1s fd_loglin | 1 1 0.1s fedvr | 1 1 0.2s bsplines | 1 1 0.2s Beryllium | 2 2 1.2s fedvr | 1 1 0.7s fd_staggered | 1 1 0.2s Neon | 2 2 16.0s Z = 10 [neon] | 1 1 0.8s Effective core potential for Ne ([He]ᶜ 2s² 2p⁶), Z = 10 | 1 1 14.4s Argon | 1 1 1.3s Xenon | 2 2 25.4s Effective core potential for Xe ([Kr]ᶜ 4d¹⁰ᶜ 5s² 5p⁶), Z = 54 — fedvr | 1 1 3.0s Relativistic effective core potential for Xe ([Ar]ᶜ 3d¹⁰ᶜ 4s² 4p⁶ 4d¹⁰ 5s² 5p⁶), Z = 54 — fedvr | 1 1 21.6s Spin--orbit interaction | 8 8 0.1s Projectors | 2 2 3.7s RNG of the outermost testset: Random.Xoshiro(0xbaf97cf9b88da567, 0x10269457316d64d5, 0x644d2dd965e0c73d, 0x729e803c8f1180c1, 0x0344a0e633b43d5e) ERROR: LoadError: Some tests did not pass: 110 passed, 0 failed, 28 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/AtomicStructure/DDEEr/test/runtests.jl:69 Testing failed after 632.57s ERROR: LoadError: Package AtomicStructure errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Types.jl:68 [2] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, julia_args::Cmd, test_args::Cmd, test_fn::Nothing, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2673 [3] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2522 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, test_fn::Nothing, julia_args::Cmd, test_args::Cmd, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:538 [5] kwcall(::@NamedTuple{julia_args::Cmd, io::IOContext{IO}}, ::typeof(Pkg.API.test), ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:515 [6] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:168 [7] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:157 [8] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [9] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [inlined] [10] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkg::String) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:155 [11] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:219 [12] include(mod::Module, _path::String) @ Base ./Base.jl:309 [13] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [14] _start() @ Base ./client.jl:577 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 1234.95s: package tests unexpectedly errored