Package evaluation to test Quante on Julia 1.14.0-DEV.1893 (b4aba01002*) started at 2026-03-15T15:53:59.505 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 12.9s ################################################################################ # Installation # Installing Quante... Resolving package versions... Updating `~/.julia/environments/v1.14/Project.toml` [62e6779b] + Quante v0.1.0 Updating `~/.julia/environments/v1.14/Manifest.toml` ⌅ [6e4b80f9] + BenchmarkTools v0.5.0 [692b3bcd] + JLLWrappers v1.7.1 ⌅ [682c06a0] + JSON v0.21.4 [69de0a69] + Parsers v2.8.3 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.2 [62e6779b] + Quante v0.1.0 ⌅ [276daf66] + SpecialFunctions v0.10.3 [10745b16] + Statistics v1.11.1 [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 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.13.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.0.0 [9e88b42a] + Serialization v1.11.0 [1a1011a3] + SharedArrays v1.11.0 [6462fe0b] + Sockets v1.11.0 [f489334b] + StyledStrings v1.13.0 [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 v0.3.30+0 [8e850b90] + libblastrampoline_jll v5.15.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Installation completed after 5.23s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling packages... 3577.9 ms ✓ Quante 1 dependency successfully precompiled in 4 seconds. 25 already precompiled. 9 dependencies precompiled but different versions are currently loaded (Base64, Dates, JuliaSyntaxHighlighting, Logging, Markdown, Printf, StyledStrings, TOML and UUIDs). Restart julia to access the new versions. Otherwise, 11 dependents of these packages may trigger further precompilation to work with the unexpected versions. Precompilation completed after 25.94s ################################################################################ # Testing # Testing Quante Status `/tmp/jl_w0QT4x/Project.toml` ⌅ [6e4b80f9] BenchmarkTools v0.5.0 [62e6779b] Quante v0.1.0 ⌅ [276daf66] SpecialFunctions v0.10.3 [8ba89e20] Distributed v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [1a1011a3] SharedArrays v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_w0QT4x/Manifest.toml` ⌅ [6e4b80f9] BenchmarkTools v0.5.0 [692b3bcd] JLLWrappers v1.7.1 ⌅ [682c06a0] JSON v0.21.4 [69de0a69] Parsers v2.8.3 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.2 [62e6779b] Quante v0.1.0 ⌅ [276daf66] SpecialFunctions v0.10.3 [10745b16] Statistics v1.11.1 [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 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.13.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v1.0.0 [9e88b42a] Serialization v1.11.0 [1a1011a3] SharedArrays v1.11.0 [6462fe0b] Sockets v1.11.0 [f489334b] StyledStrings v1.13.0 [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 v0.3.30+0 [8e850b90] libblastrampoline_jll v5.15.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ┌ Warning: `lgamma(x::Real)` is deprecated, use `(logabsgamma(x))[1]` instead. │ caller = gser at gamma.jl:27 [inlined] └ @ Core ~/.julia/packages/Quante/vuQmp/src/gamma.jl:27 ┌ Warning: `lgamma(x::Real)` is deprecated, use `(logabsgamma(x))[1]` instead. │ caller = gcf(a::Float64, x::Float64, ITMAX::Int64, EPS::Float64, FPMIN::Float64) at gamma.jl:46 └ @ Core ~/.julia/packages/Quante/vuQmp/src/gamma.jl:46 Nel=14 Nclosed=7 SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo HF: 1 -107.38090452350778 : 22.5140712945591 -101.24781936281873 -28.647156455248147 HF: 2 -108.77382756395968 : 22.5140712945591 -97.53100344626533 -33.75689541225346 HF: 3 -110.12551264856458 : 22.5140712945591 -98.67546170673997 -33.96412223638371 HF: 4 -110.76189261141113 : 22.5140712945591 -98.56583645141052 -34.710127454559704 HF: 5 -111.03516071971418 : 22.5140712945591 -98.54594349010448 -35.003288524168816 HF: 6 -111.14790948406988 : 22.5140712945591 -98.53039523396349 -35.131585544665505 HF: 7 -111.1936994183012 : 22.5140712945591 -98.52258558420598 -35.18518512865431 HF: 8 -111.21217070361585 : 22.5140712945591 -98.51831978577732 -35.207922212397634 HF: 9 -111.21959899289304 : 22.5140712945591 -98.51597841497616 -35.21769187247598 HF: 10 -111.22258182508688 : 22.5140712945591 -98.51467569564434 -35.221977424001636 HF: 11 -111.22377864597381 : 22.5140712945591 -98.51394271465341 -35.2239072258795 HF: 12 -111.22425864946587 : 22.5140712945591 -98.51352588607543 -35.22480405794954 HF: 13 -111.22445111774061 : 22.5140712945591 -98.5132864081499 -35.22523600414982 HF: 14 -111.2245282835426 : 22.5140712945591 -98.513147436944 -35.2254521411577 HF: 15 -111.22455922038215 : 22.5140712945591 -98.51306598867728 -35.225564526263966 HF: 16 -111.22457162368048 : 22.5140712945591 -98.51301778390977 -35.2256251343298 HF: 17 -111.22457659678555 : 22.5140712945591 -98.51298897773385 -35.2256589136108 HF: 18 -111.22457859095766 : 22.5140712945591 -98.51297160085741 -35.22567828465936 HF: 19 -111.22457939070924 : 22.5140712945591 -98.51296102271678 -35.22568966255155 801.361813 seconds (258.96 M allocations: 25.841 GiB, 0.71% gc time, 1.19% compilation time) CO Energy: -111.22457939070924 S&O STO-3G: -111.225 Nel=14 Nclosed=7 SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo HF: 1 -104.09363805438089 : 23.625843780135007 -97.40203431602248 -30.31744751849341 HF: 2 -105.54021878932969 : 23.625843780135007 -96.78542951388084 -32.380633055583836 HF: 3 -106.24731429950734 : 23.625843780135007 -96.48366977076459 -33.38948830887775 HF: 4 -106.5531754446258 : 23.625843780135007 -96.33882609816776 -33.84019312659306 HF: 5 -106.67974978984346 : 23.625843780135007 -96.26909146511929 -34.03650210485917 HF: 6 -106.73119121822812 : 23.625843780135007 -96.23519312549074 -34.121841872872395 HF: 7 -106.75193271299696 : 23.625843780135007 -96.21852152362199 -34.159254969509995 HF: 8 -106.76026511813205 : 23.625843780135007 -96.21022274232878 -34.175886155938294 HF: 9 -106.76360641865637 : 23.625843780135007 -96.20604250200134 -34.18340769679002 HF: 10 -106.7649450191207 : 23.625843780135007 -96.20391249208278 -34.18687630717294 HF: 11 -106.7654810128029 : 23.625843780135007 -96.2028149899061 -34.1885098030318 HF: 12 -106.76569556638701 : 23.625843780135007 -96.20224331120856 -34.18929603531346 HF: 13 -106.76578143418075 : 23.625843780135007 -96.20194233676447 -34.18968287755129 HF: 14 -106.76581579569236 : 23.625843780135007 -96.20178221012945 -34.18987736569793 HF: 15 -106.76582954493617 : 23.625843780135007 -96.20169613428843 -34.189977190782734 HF: 16 -106.7658350461749 : 23.625843780135007 -96.20164939337306 -34.19002943293684 HF: 17 -106.76583724719521 : 23.625843780135007 -96.20162376029768 -34.19005726703253 HF: 18 -106.76583812778959 : 23.625843780135007 -96.20160956816305 -34.19007233976156 801.936361 seconds (256.50 M allocations: 25.710 GiB, 0.69% gc time, 0.00% compilation time) N2 Energy: -106.76583812778959 S&O STO-3G: -107.496 S: 0.6065306597126335 T: 0.6065306597126335 V: 0.0 -0.8281442160449487 V: 0.25 -0.7990419008379454 V: 0.5 -0.7228383060053438 V: 0.75 -0.6248255535636188 V: 1.0 -0.5287466568645792 Testing simple molecules, sto-3g energy... Building basis 2 basis functions Calculating 1e ints Calculating 2e ints 4.0 ints to calculate. Each '.' is 2.0 ...Nel=2 Nclosed=1 S= [0.9999999999999999 0.6647387449282997; 0.6647387449282997 0.9999999999999999] h= [-1.125810916294621 -0.9681258751914802; -0.9681258751914802 -1.125810916294621] T= [0.7600318835666092 0.24141861181119084; 0.24141861181119084 0.7600318835666092] V= [-1.8858427998612302 -1.209544487002671; -1.209544487002671 -1.8858427998612302] E: [-1.2578170586017612, -0.4703348171545133] U: [-0.5480396224736607 1.221218343106215; -0.5480396224736601 -1.221218343106215] 2e ints: [0.7746059439196399, 0.4488373301616539, 0.3025451156658821, 0.5727937653751657, 0.4488373301616539, 0.7746059439196399] SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo D= [0.3003474278010725 0.3003474278010722; 0.3003474278010722 0.30034742780107193] HF: 1 -1.1170995844339022 : 0.7223600367025186 -1.2578170586017612 -0.5816425625346597 D= [0.3003474278010724 0.3003474278010722; 0.3003474278010722 0.30034742780107204] HF: 2 -1.1170995844339022 : 0.7223600367025186 -1.257817058601761 -0.5816425625346597 1.848171 seconds (739.76 k allocations: 44.559 MiB, 2.08% gc time, 85.84% compilation time) Nel=10 Nclosed=5 SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo HF: 1 -73.2268097835856 : 9.32951149630016 -63.77027687859045 -18.786044401295296 HF: 2 -74.2149159113277 : 9.32951149630016 -62.14679373916349 -21.397633668464362 HF: 3 -74.65232617993206 : 9.32951149630016 -61.60442546329224 -22.377412212939984 HF: 4 -74.83500305481671 : 9.32951149630016 -61.41269949765014 -22.75181505346673 HF: 5 -74.9095156250628 : 9.32951149630016 -61.344044121147654 -22.894983000215298 HF: 6 -74.93961679589056 : 9.32951149630016 -61.31951618234059 -22.949612109850122 HF: 7 -74.95172849824831 : 9.32951149630016 -61.31089372640462 -22.97034626814386 HF: 8 -74.95659385916855 : 9.32951149630016 -61.30797865385043 -22.978126701618272 HF: 9 -74.95854705490726 : 9.32951149630016 -61.30707845290758 -22.98098009829984 HF: 10 -74.95933100370036 : 9.32951149630016 -61.30686335670341 -22.981979143297103 HF: 11 -74.95964565542847 : 9.32951149630016 -61.3068620991836 -22.98229505254504 HF: 12 -74.95977196011626 : 9.32951149630016 -61.30691356037697 -22.982369896039437 HF: 13 -74.95982266894305 : 9.32951149630016 -61.30696693533908 -22.98236722990412 HF: 14 -74.95984303194834 : 9.32951149630016 -61.30700933302652 -22.98234519522199 HF: 15 -74.95985121113256 : 9.32951149630016 -61.30703993462868 -22.982322772804043 HF: 16 -74.95985449739045 : 9.32951149630016 -61.30706106695967 -22.98230492673095 HF: 17 -74.95985581816808 : 9.32951149630016 -61.307075333486715 -22.982291980981532 HF: 18 -74.95985634918303 : 9.32951149630016 -61.307084848177084 -22.982282997306104 127.709922 seconds (39.51 M allocations: 4.009 GiB, 0.74% gc time, 0.17% compilation time) Building basis 6 basis functions Calculating 1e ints Calculating 2e ints 324.0 ints to calculate. Each '.' is 18.0 .....................Nel=4 Nclosed=2 S= [1.0 0.24113665118392036 0.0 0.0 -3.338907246407602e-18 0.0623882078806568; 0.24113665118392036 1.0 0.0 0.0 8.090419857980937e-18 0.38778479173351166; 0.0 0.0 1.0000000000000002 0.0 0.0 0.0; 0.0 0.0 0.0 1.0000000000000002 0.0 0.0; -3.338907246407602e-18 8.090419857980937e-18 0.0 0.0 1.0000000000000002 0.5071549239287345; 0.0623882078806568 0.38778479173351166 0.0 0.0 0.5071549239287345 0.9999999999999999] h= [-4.730746231304545 -1.0628629974042871 0.0 0.0 -0.015513775274376541 -0.28302379767712815; -1.0628629974042871 -1.3925675517633638 0.0 0.0 -0.1204953048510706 -0.6747086489344614; 0.0 0.0 -1.13301549813328 0.0 0.0 0.0; 0.0 0.0 0.0 -1.13301549813328 0.0 0.0; -0.015513775274376541 -0.1204953048510706 0.0 0.0 -1.2297660389809888 -0.8231045394742205; -0.28302379767712815 -0.6747086489344614 0.0 0.0 -0.8231045394742205 -1.438312085210884] T= [3.576786424486299 -0.020237380561294524 0.0 0.0 1.0050742576448385e-16 -0.015182030356924794; -0.020237380561294524 0.10216336611653977 0.0 0.0 9.472869575926744e-18 0.04016357806666125; 0.0 0.0 0.31968166922508967 0.0 0.0 0.0; 0.0 0.0 0.0 0.31968166922508967 0.0 0.0; 1.0050742576448385e-16 9.472869575926744e-18 0.0 0.0 0.31968166922508967 0.1239804973854413; -0.015182030356924794 0.04016357806666125 0.0 0.0 0.1239804973854413 0.7600318835666092] V= [-8.307532655790844 -1.0426256168429926 0.0 0.0 -0.015513775274376642 -0.26784176732020337; -1.0426256168429926 -1.4947309178799035 0.0 0.0 -0.12049530485107061 -0.7148722270011226; 0.0 0.0 -1.4526971673583697 0.0 0.0 0.0; 0.0 0.0 0.0 -1.4526971673583697 0.0 0.0; -0.015513775274376642 -0.12049530485107061 0.0 0.0 -1.5494477082060785 -0.9470850368596617; -0.26784176732020337 -0.7148722270011226 0.0 0.0 -0.9470850368596617 -2.1983439687774933] E: [-4.732669250144187, -1.4860298665242642, -1.1330154981332798, -1.1330154981332794, -1.1154357586516848, -0.9479967982615237] U: [-1.0054961548821344 0.10705471453963768 3.168206643583703e-15 9.771223814946466e-16 -0.189773472826569 0.07131355877498223; 0.02501519791922036 -0.3058382737898152 -1.5500009979079776e-14 -4.41169985024096e-15 0.9365745196073741 -0.5960171462563034; 0.0 -9.71445146547012e-17 -0.9979397932831251 -0.06415737667667429 -1.687538997430238e-14 -2.220446049250313e-16; 1.1102230246251565e-16 8.673617379884035e-18 -0.06415737667667439 0.9979397932831254 3.7192471324942744e-15 6.938893903907228e-17; -0.0016660251434830672 -0.31813033085030995 7.406806048539392e-15 2.111886251704132e-15 -0.42486377639973105 -1.0738715473580898; -0.004279333591771872 -0.6670879230963064 3.766690594551142e-15 1.0572470486299735e-15 -0.23827720306239472 1.0904747085314677] 2e ints: [1.6803951695331898, 0.2654203646077187, 0.049941457240219686, 0.39772686108959754, 0.09286014364192013, 0.29056229500902925, 0.0, 0.0, 0.0, 0.008981319284146876, 0.0, 0.0, 0.0, 0.013788268908942618, 0.06418432858618388, 0.39663964228846493, 0.0928803968305768, 0.2904969755878943, 0.0, 0.0, 0.31294551115932095, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.008981319284146876, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.013788268908942618, 0.06418432858618388, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.016869139513679115, 0.39663964228846493, 0.0928803968305768, 0.2904969755878943, 0.0, 0.0, 0.27920723213196275, 0.0, 0.0, 0.0, 0.31294551115932095, -9.645556874830925e-18, -1.2368425659177096e-18, 1.88988258324805e-18, 0.0, 0.0, 2.0546726077601306e-18, 0.0, 0.0, 0.0, 2.0546726077601306e-18, 0.008981319284146876, 4.980527837358732e-18, 3.2619850144193316e-18, 1.6191766501719963e-18, 0.0, 0.0, 6.55780891405498e-18, 0.0, 0.0, 0.0, 6.55780891405498e-18, 0.013788268908942618, 0.06418432858618388, 0.0, 0.0, 0.0, 1.1899060704188328e-18, 2.8003994689972576e-18, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.016869139513679115, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.1899060704188328e-18, 2.8003994689972576e-18, 0.0, 0.0, 0.0, 0.0, 0.0, 0.016869139513679115, 0.39663964228846493, 0.0928803968305768, 0.2904969755878943, 0.0, 0.0, 0.27920723213196275, 0.0, 0.0, 0.0, 0.27920723213196275, 4.434484748597798e-18, 1.2158607852049501e-17, 0.0, 0.0, 0.31294551115932095, 0.0667339677041467, 0.012620598638531735, 0.02388545407727867, 0.0, 0.0, 0.023604832299752368, 0.0, 0.0, 0.0, 0.023604832299752368, 0.001492272430983647, 0.0028911617235636883, 0.0, 0.0, 0.024457596908721378, 0.0034862705333883162, 0.14596444422610827, 0.03443571481497561, 0.1126226803835977, 0.0, 0.0, 0.10696210179888317, 0.0, 0.0, 0.0, 0.10696210179888317, 0.005610129622053194, 0.033051117005616436, 0.0, 0.0, 0.12382568270043733, 0.01037795465570422, 0.07090836031824958, 0.0, 0.0, 0.0, 0.0028669465927147505, 0.013055295140459777, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.005185017473050787, 0.0, 0.0, 0.0, 0.0, 0.005280625871173754, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0028669465927147505, 0.013055295140459777, 0.0, 0.0, 0.0, 0.0, 0.0, 0.005185017473050787, 0.0, 0.0, 0.0, 0.0, 0.005280625871173754, 0.17771939256542632, 0.0423935602490053, 0.14400904031943848, 0.0, 0.0, 0.13434158959892134, 0.0, 0.0, 0.0, 0.13434158959892134, 0.008721129348030765, 0.05057776112643517, 0.0, 0.0, 0.16316946348450898, 0.01332638593306322, 0.09956151143349919, 0.0, 0.0, 0.14198400237178882, 0.32358050774845615, 0.07770946854193947, 0.27814663726303723, 0.0, 0.0, 0.2539337791170916, 0.0, 0.0, 0.0, 0.2539337791170916, 0.014760140933008894, 0.10475329596840663, 0.0, 0.0, 0.32620957580392934, 0.02454004453455279, 0.2173420825452989, 0.0, 0.0, 0.3173923492698283, 0.7746059439196399] SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo D= [1.0224832293879205 -0.05789411441725586 -1.0399778285450686e-17 -1.1070394659959129e-16 -0.03238216987987124 -0.06711205370793027; -0.05789411441725586 0.09416280984167173 2.971051067014322e-17 1.2452070257030167e-19 0.09725475527873896 0.2039139704890468; -1.0399778285450686e-17 2.971051067014322e-17 9.437056727497456e-33 -8.425943506694157e-34 3.0904616587392877e-17 6.480393252120332e-17; -1.1070394659959129e-16 1.2452070257030167e-19 -8.425943506694157e-34 1.2401183282530936e-32 -2.9443067141214397e-18 -6.261166872042568e-18; -0.03238216987987124 0.09725475527873896 3.0904616587392877e-17 -2.9443067141214397e-18 0.10120968304670638 0.2122280311582353; -0.06711205370793027 0.2039139704890468 6.480393252120332e-17 -6.261166872042568e-18 0.2122280311582353 0.44502460983693326] HF: 1 -7.832248066137741 : 0.9739538361317303 -6.21869911666845 -2.5875027856010213 D= [1.0148696957624066 -0.046432904327708885 -4.1263240321795733e-17 -3.5447386556468675e-17 -0.04941806300667934 -0.07552878338472488; -0.046432904327708885 0.14378124716547358 2.4261021012780386e-17 -2.4174820637662833e-17 0.13159145500021907 0.22286181735551785; -4.1263240321795733e-17 2.4261021012780386e-17 7.186820885439454e-33 -3.3640033436352665e-33 2.4096233985193603e-17 4.341433515935945e-17; -3.5447386556468675e-17 -2.4174820637662833e-17 -3.3640033436352665e-33 1.0511205877504235e-32 -2.2431836916892798e-17 -3.486384241455274e-17; -0.04941806300667934 0.13159145500021907 2.4096233985193603e-17 -2.2431836916892798e-17 0.12187901543173427 0.20878479641295467; -0.07552878338472488 0.22286181735551785 4.341433515935945e-17 -3.486384241455274e-17 0.20878479641295467 0.36667028068489926] HF: 2 -7.848034551131688 : 0.9739538361317303 -6.211744542227802 -2.610243845035616 D= [1.011480179086852 -0.04199806940666552 -5.613899045652471e-17 1.205065719787432e-16 -0.05732067088163529 -0.0801710161263274; -0.04199806940666552 0.17065557767350292 1.5712801340472215e-17 -1.3266976618042917e-17 0.14699079910874838 0.23352573279432098; -5.613899045652471e-17 1.5712801340472215e-17 5.647295164057132e-33 -1.009680223597204e-32 1.580068429846139e-17 2.6315493676046746e-17; 1.205065719787432e-16 -1.3266976618042917e-17 -1.009680223597204e-32 3.4185099488504827e-32 -1.599024097838759e-17 -2.30102987081414e-17; -0.05732067088163529 0.14699079910874838 1.580068429846139e-17 -1.599024097838759e-17 0.12797759191983488 0.2045205539952115; -0.0801710161263274 0.23352573279432098 2.6315493676046746e-17 -2.30102987081414e-17 0.2045205539952115 0.33158198366709146] HF: 3 -7.855236478240506 : 0.9739538361317303 -6.207801475558348 -2.621388838813888 D= [1.0100650301585932 -0.04062636806464361 -1.4856439766012062e-18 -8.229248844212043e-17 -0.06090235918591172 -0.08281898472153472; -0.04062636806464361 0.18574245977367337 1.1594022081129334e-17 -1.4226213756125905e-17 0.15374973299850664 0.23984324610227364; -1.4856439766012062e-18 1.1594022081129334e-17 3.308056852036841e-33 -9.298052529196396e-33 9.924224851252523e-18 1.63707707862904e-17; -8.229248844212043e-17 -1.4226213756125905e-17 -9.298052529196396e-33 4.349409843153604e-32 -9.482658297256007e-18 -1.568470644536621e-17; -0.06090235918591172 0.15374973299850664 9.924224851252523e-18 -9.482658297256007e-18 0.12852032765005678 0.2008186319137948; -0.08281898472153472 0.23984324610227364 1.63707707862904e-17 -1.568470644536621e-17 0.2008186319137948 0.3158916087176237] HF: 4 -7.858378838595772 : 0.9739538361317303 -6.20558156715245 -2.6267511075750516 D= [1.0095487810883115 -0.04051095492251122 7.986907907860714e-17 3.5525110059741756e-17 -0.062460856796180686 -0.08439107361961012; -0.04051095492251122 0.19457261951757934 -8.486056303546838e-18 -1.0447239204638744e-17 0.15660954853063663 0.24379760138544132; 7.986907907860714e-17 -8.486056303546838e-18 1.28368843090094e-32 5.542705313717952e-33 -8.85870372381253e-18 -1.2362806559819926e-17; 3.5525110059741756e-17 -1.0447239204638744e-17 5.542705313717952e-33 2.516765486529697e-32 -9.679768060740646e-18 -1.4530323331989144e-17; -0.062460856796180686 0.15660954853063663 -8.85870372381253e-18 -9.679768060740646e-18 0.12721314432225084 0.1979252544086429; -0.08439107361961012 0.24379760138544132 -1.2362806559819926e-17 -1.4530323331989144e-17 0.1979252544086429 0.30889328392977] HF: 5 -7.859727276491849 : 0.9739538361317303 -6.204331875967686 -2.629349236655893 D= [1.0094228823906526 -0.04084604359456072 1.038313561941364e-17 7.553329295478183e-17 -0.06308835952448459 -0.0853634592244185; -0.04084604359456072 0.199966545937722 9.990307979376996e-19 1.0806204634670333e-17 0.15773804183022547 0.2463902952897411; 1.038313561941364e-17 9.990307979376996e-19 6.0046824224337075e-33 5.4084221256506005e-34 5.284975934921564e-19 1.1526362714161206e-18; 7.553329295478183e-17 1.0806204634670333e-17 5.4084221256506005e-34 1.8799127225511476e-32 5.768484054787268e-18 1.0141935341706894e-17; -0.06308835952448459 0.15773804183022547 5.284975934921564e-19 5.768484054787268e-18 0.1255199200757188 0.19575823886230448; -0.0853634592244185 0.2463902952897411 1.1526362714161206e-18 1.0141935341706894e-17 0.19575823886230448 0.3057886262424738] HF: 6 -7.860304274545028 : 0.9739538361317303 -6.203620980258181 -2.630637130418577 D= [1.0094520124516722 -0.04128773198564834 1.5691304111000141e-18 9.004178043487476e-17 -0.06330002908575483 -0.08598794495397437; -0.04128773198564834 0.2033940951129965 4.3317743548049955e-18 2.3842382054854643e-17 0.1581183754260331 0.24814872741699562; 1.5691304111000141e-18 4.3317743548049955e-18 2.532493859612937e-33 6.483344297507032e-34 3.2953057488858772e-18 5.291899071909128e-18; 9.004178043487476e-17 2.3842382054854643e-17 6.483344297507032e-34 1.73786985639976e-32 1.5335754289574647e-17 2.5425104645958835e-17; -0.06330002908575483 0.1581183754260331 3.2953057488858772e-18 1.5335754289574647e-17 0.1239671544248831 0.19416687640085006; -0.08598794495397437 0.24814872741699562 5.291899071909128e-18 2.5425104645958835e-17 0.19416687640085006 0.3044259964107055] HF: 7 -7.860552381533141 : 0.9739538361317303 -6.2032082910242785 -2.631297926640593 D= [1.009531131653294 -0.04170163169958932 1.3758101225843834e-18 4.2569608088734324e-17 -0.06333570049291914 -0.08640183331657858; -0.04170163169958932 0.20564593820395916 6.632015506700762e-18 -8.16735489959392e-18 0.15819109018427807 0.24936842536053264; 1.3758101225843834e-18 6.632015506700762e-18 1.211168964372688e-33 -4.299555923835864e-34 5.0062766297106414e-18 7.97131371708111e-18; 4.2569608088734324e-17 -8.16735489959392e-18 -4.299555923835864e-34 9.488016321463147e-33 -7.482695083031692e-18 -1.1318869709496516e-17; -0.06333570049291914 0.15819109018427807 5.0062766297106414e-18 -7.482695083031692e-18 0.12270122735824562 0.19300966648984197; -0.08640183331657858 0.24936842536053264 7.97131371708111e-18 -1.1318869709496516e-17 0.19300966648984197 0.3038400262558101] HF: 8 -7.860660094534742 : 0.9739538361317303 -6.202961996364978 -2.6316519343014932 D= [1.0096162099952353 -0.04204535400064355 2.5288158493072827e-18 -5.120876059516465e-17 -0.06330458714650902 -0.08668295342689221; -0.04204535400064355 0.20716458661946294 8.148894364727739e-18 5.107172933875708e-19 0.15814963036622118 0.25022637553509747; 2.5288158493072827e-18 8.148894364727739e-18 7.422483014841639e-34 -3.5336352077165458e-34 6.080728712675023e-18 9.698759863086892e-18; -5.120876059516465e-17 5.107172933875708e-19 -3.5336352077165458e-34 1.1488093852925855e-32 1.977271738644558e-18 2.445801825771837e-18; -0.06330458714650902 0.15814963036622118 6.080728712675023e-18 1.977271738644558e-18 0.12172440099415435 0.19217253593151035; -0.08668295342689221 0.25022637553509747 9.698759863086892e-18 2.445801825771837e-18 0.19217253593151035 0.30359768082118155] HF: 9 -7.860707449744908 : 0.9739538361317303 -6.202810292692666 -2.631850993183972 D= [1.0096909962515195 -0.04231450827403852 -6.933194467181495e-17 -2.4610366229185778e-17 -0.06325453787666448 -0.08687736666913107; -0.04231450827403852 0.2082088465397558 2.5924368568054683e-17 1.1632140279967278e-17 0.15807591981230695 0.2508349606876588; -6.933194467181495e-17 2.5924368568054683e-17 1.1588724544774827e-32 2.1222993271489418e-33 2.1617668905352777e-17 3.3494781394926714e-17; -2.4610366229185778e-17 1.1632140279967278e-17 2.1222993271489418e-33 5.642552929144873e-33 9.491487481387703e-18 1.4786720565950598e-17; -0.06325453787666448 0.15807591981230695 2.1617668905352777e-17 9.491487481387703e-18 0.12099245145766449 0.1915687210567097; -0.08687736666913107 0.2508349606876588 3.3494781394926714e-17 1.4786720565950598e-17 0.1915687210567097 0.30350510352943183] HF: 10 -7.860728572894486 : 0.9739538361317303 -6.2027138320278485 -2.6319685769983665 D= [1.0097513173570152 -0.042518486593676505 -7.391258669508195e-17 -9.247355093651574e-18 -0.06320504708947028 -0.08701353101575071; -0.042518486593676505 0.20893689724280848 3.1082181716695824e-17 3.192151776843445e-18 0.15800230394333709 0.2512687895973188; -7.391258669508195e-17 3.1082181716695824e-17 1.0981013747272147e-32 5.872331817338578e-34 2.5568461803103977e-17 3.978108061085249e-17; -9.247355093651574e-18 3.192151776843445e-18 5.872331817338578e-34 2.2741507900093887e-33 2.685615642152581e-18 4.149367627859941e-18; -0.06320504708947028 0.15800230394333709 2.5568461803103977e-17 2.685615642152581e-18 0.12045310990041619 0.19113394948612447; -0.08701353101575071 0.2512687895973188 3.978108061085249e-17 4.149367627859941e-18 0.19113394948612447 0.3034759652539334] HF: 11 -7.8607381423658795 : 0.9739538361317303 -6.202650690446736 -2.632041288050874 D= [1.0097978241158971 -0.042670074551674333 -6.552498623781861e-17 1.3089999093512434e-16 -0.06316287333774022 -0.08710972468380196; -0.042670074551674333 0.20944936097657577 1.554271700318039e-17 -1.3126749121053574e-18 0.1579396666760018 0.2515789242743337; -6.552498623781861e-17 1.554271700318039e-17 6.546802374788638e-33 -7.71397814517602e-33 1.3659881035683671e-17 2.090950249474035e-17; 1.3089999093512434e-16 -1.3126749121053574e-18 -7.71397814517602e-33 3.08881347124907e-32 -5.018759209343352e-18 -6.248069561621511e-18; -0.06316287333774022 0.1579396666760018 1.3659881035683671e-17 -5.018759209343352e-18 0.12005963516143756 0.19082123411885984; -0.08710972468380196 0.2515789242743337 2.090950249474035e-17 -6.248069561621511e-18 0.19082123411885984 0.3034722382808059] HF: 12 -7.860742546752993 : 0.9739538361317303 -6.202608335185239 -2.6320880476994835 D= [1.0098327542750747 -0.04278136098840706 -8.48102234717759e-18 -1.2264328335561765e-17 -0.06312933749227106 -0.08717807117545791; -0.04278136098840706 0.20981241906827247 1.4989866472565965e-17 -6.622823803184654e-18 0.15789005176657459 0.2518009941402437; -8.48102234717759e-18 1.4989866472565965e-17 3.863636655824449e-33 -5.6504445653547546e-33 1.1454263464860619e-17 1.8187878795381978e-17; -1.2264328335561765e-17 -6.622823803184654e-18 -5.6504445653547546e-33 1.9873316891665548e-32 -4.556870889383229e-18 -7.456326071463466e-18; -0.06312933749227106 0.15789005176657459 1.1454263464860619e-17 -4.556870889383229e-18 0.11977431730881843 0.19059646717671302; -0.08717807117545791 0.2518009941402437 1.8187878795381978e-17 -7.456326071463466e-18 0.19059646717671302 0.3034775190796487] HF: 13 -7.860744605522912 : 0.9739538361317303 -6.202579368560126 -2.632119073094517 D= [1.0098585722824103 -0.04286242477061274 8.571565552550486e-18 -1.7046010105571487e-18 -0.06310366189383866 -0.08722681341394481; -0.04286242477061274 0.210070746380405 2.3814115766267082e-18 -1.1629310960066064e-17 0.15785221782109687 0.2519601537156138; 8.571565552550486e-18 2.3814115766267082e-18 1.8588341733221766e-33 -1.9772954397979085e-33 1.5221541312446928e-18 2.5400724591571554e-18; -1.7046010105571487e-18 -1.1629310960066064e-17 -1.9772954397979085e-33 8.591731827799489e-33 -8.606251491066041e-18 -1.379805321826802e-17; -0.06310366189383866 0.15785221782109687 1.5221541312446928e-18 -8.606251491066041e-18 0.1195682057593477 0.19043499012013201; -0.08722681341394481 0.2519601537156138 2.5400724591571554e-18 -1.379805321826802e-17 0.19043499012013201 0.30348501053253196] HF: 14 -7.860745582058086 : 0.9739538361317303 -6.202559268193998 -2.632140149995818 90.406565 seconds (29.12 M allocations: 2.942 GiB, 0.77% gc time) Test Summary: | Pass Total Time Quante.jl | 157 157 31m47.9s All tests passed! 8^) Testing Quante tests passed Testing completed after 1908.36s PkgEval succeeded after 1971.71s