Package evaluation to test Quante on Julia 1.14.0-DEV.1352 (749bc618c5*) started at 2025-12-09T20:49:41.748 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 8.94s ################################################################################ # 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 v1.5.0 [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 v0.3.29+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 To see why use `status --outdated -m` Installation completed after 4.18s ################################################################################ # Precompilation # ERROR: LoadError: MethodError: no method matching setindex!(::Base.ScopedValues.ScopedValue{IO}, ::Nothing) The function `setindex!` exists, but no method is defined for this combination of argument types. Stacktrace: [1] top-level scope @ /PkgEval.jl/scripts/precompile.jl:10 [2] include(mod::Module, _path::String) @ Base ./Base.jl:309 [3] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [4] _start() @ Base ./client.jl:577 in expression starting at /PkgEval.jl/scripts/precompile.jl:6 caused by: MethodError: no method matching setindex!(::Base.ScopedValues.ScopedValue{IO}, ::Base.DevNull) The function `setindex!` exists, but no method is defined for this combination of argument types. Stacktrace: [1] top-level scope @ /PkgEval.jl/scripts/precompile.jl:7 [2] include(mod::Module, _path::String) @ Base ./Base.jl:309 [3] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [4] _start() @ Base ./client.jl:577 Precompilation failed after 12.28s ################################################################################ # Testing # Testing Quante Status `/tmp/jl_MtVIBu/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_MtVIBu/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 v1.5.0 [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 v0.3.29+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 -107.3809045235078 : 22.5140712945591 -101.24781936281875 -28.647156455248155 HF: 2 -108.77382756395966 : 22.5140712945591 -97.5310034462653 -33.756895412253456 HF: 3 -110.12551264856455 : 22.5140712945591 -98.67546170673994 -33.96412223638372 HF: 4 -110.76189261141114 : 22.5140712945591 -98.56583645141052 -34.710127454559725 HF: 5 -111.03516071971421 : 22.5140712945591 -98.54594349010449 -35.00328852416882 HF: 6 -111.14790948406991 : 22.5140712945591 -98.53039523396352 -35.131585544665505 HF: 7 -111.19369941830114 : 22.5140712945591 -98.52258558420594 -35.1851851286543 HF: 8 -111.21217070361581 : 22.5140712945591 -98.5183197857773 -35.20792221239763 HF: 9 -111.21959899289303 : 22.5140712945591 -98.51597841497615 -35.21769187247598 HF: 10 -111.22258182508688 : 22.5140712945591 -98.51467569564433 -35.22197742400164 HF: 11 -111.2237786459738 : 22.5140712945591 -98.51394271465341 -35.22390722587948 HF: 12 -111.22425864946587 : 22.5140712945591 -98.51352588607544 -35.22480405794953 HF: 13 -111.22445111774063 : 22.5140712945591 -98.51328640814992 -35.22523600414981 HF: 14 -111.22452828354258 : 22.5140712945591 -98.51314743694398 -35.225452141157696 HF: 15 -111.22455922038213 : 22.5140712945591 -98.51306598867727 -35.22556452626397 HF: 16 -111.22457162368045 : 22.5140712945591 -98.51301778390975 -35.2256251343298 HF: 17 -111.22457659678551 : 22.5140712945591 -98.51298897773383 -35.22565891361079 HF: 18 -111.22457859095765 : 22.5140712945591 -98.5129716008574 -35.22567828465935 HF: 19 -111.22457939070921 : 22.5140712945591 -98.5129610227168 -35.225689662551524 728.651848 seconds (239.44 M allocations: 24.962 GiB, 0.59% gc time, 0.86% compilation time) CO Energy: -111.22457939070921 S&O STO-3G: -111.225 Nel=14 Nclosed=7 SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo HF: 1 -104.09363805438085 : 23.625843780135007 -97.40203431602247 -30.317447518493402 HF: 2 -105.54021878932969 : 23.625843780135007 -96.78542951388084 -32.38063305558384 HF: 3 -106.24731429950732 : 23.625843780135007 -96.48366977076459 -33.389488308877745 HF: 4 -106.5531754446258 : 23.625843780135007 -96.33882609816773 -33.84019312659307 HF: 5 -106.67974978984346 : 23.625843780135007 -96.2690914651193 -34.03650210485917 HF: 6 -106.73119121822812 : 23.625843780135007 -96.23519312549074 -34.121841872872395 HF: 7 -106.75193271299698 : 23.625843780135007 -96.21852152362199 -34.15925496951 HF: 8 -106.76026511813205 : 23.625843780135007 -96.21022274232877 -34.17588615593829 HF: 9 -106.76360641865634 : 23.625843780135007 -96.20604250200132 -34.18340769679003 HF: 10 -106.76494501912072 : 23.625843780135007 -96.20391249208276 -34.186876307172945 HF: 11 -106.76548101280292 : 23.625843780135007 -96.20281498990613 -34.188509803031785 HF: 12 -106.765695566387 : 23.625843780135007 -96.20224331120855 -34.189296035313454 HF: 13 -106.76578143418078 : 23.625843780135007 -96.20194233676446 -34.18968287755131 HF: 14 -106.76581579569235 : 23.625843780135007 -96.20178221012941 -34.18987736569794 HF: 15 -106.76582954493614 : 23.625843780135007 -96.20169613428841 -34.189977190782734 HF: 16 -106.76583504617489 : 23.625843780135007 -96.20164939337303 -34.190029432936846 HF: 17 -106.76583724719521 : 23.625843780135007 -96.20162376029768 -34.19005726703252 HF: 18 -106.7658381277896 : 23.625843780135007 -96.20160956816304 -34.19007233976157 636.112141 seconds (236.13 M allocations: 24.794 GiB, 0.61% gc time, 0.00% compilation time) N2 Energy: -106.7658381277896 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 1.779733 seconds (819.47 k allocations: 46.061 MiB, 88.38% compilation time) Nel=10 Nclosed=5 SCF: Iteration TotalEnergy :=: Enuke + Eone + Etwo HF: 1 -73.2268097835856 : 9.32951149630016 -63.77027687859045 -18.7860444012953 HF: 2 -74.2149159113277 : 9.32951149630016 -62.14679373916348 -21.397633668464376 HF: 3 -74.65232617993207 : 9.32951149630016 -61.604425463292245 -22.377412212939987 HF: 4 -74.83500305481672 : 9.32951149630016 -61.41269949765015 -22.75181505346673 HF: 5 -74.90951562506277 : 9.32951149630016 -61.34404412114763 -22.894983000215298 HF: 6 -74.93961679589054 : 9.32951149630016 -61.31951618234058 -22.94961210985012 HF: 7 -74.95172849824831 : 9.32951149630016 -61.31089372640462 -22.970346268143857 HF: 8 -74.95659385916852 : 9.32951149630016 -61.30797865385042 -22.97812670161827 HF: 9 -74.95854705490727 : 9.32951149630016 -61.30707845290759 -22.98098009829984 HF: 10 -74.95933100370034 : 9.32951149630016 -61.3068633567034 -22.9819791432971 HF: 11 -74.95964565542849 : 9.32951149630016 -61.306862099183604 -22.982295052545034 HF: 12 -74.95977196011627 : 9.32951149630016 -61.306913560376984 -22.98236989603944 HF: 13 -74.95982266894305 : 9.32951149630016 -61.3069669353391 -22.98236722990412 HF: 14 -74.95984303194837 : 9.32951149630016 -61.30700933302655 -22.98234519522198 HF: 15 -74.95985121113256 : 9.32951149630016 -61.307039934628676 -22.982322772804043 HF: 16 -74.95985449739045 : 9.32951149630016 -61.30706106695966 -22.98230492673095 HF: 17 -74.95985581816807 : 9.32951149630016 -61.30707533348668 -22.982291980981543 HF: 18 -74.95985634918301 : 9.32951149630016 -61.30708484817707 -22.982282997306093 103.166552 seconds (36.45 M allocations: 3.872 GiB, 0.64% gc time, 0.13% 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 -7.832248066137742 : 0.9739538361317303 -6.218699116668451 -2.5875027856010218 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 -7.855236478240508 : 0.9739538361317303 -6.207801475558349 -2.6213888388138886 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 -7.858378838595771 : 0.9739538361317303 -6.205581567152449 -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 -2.629349236655894 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 -2.6306371304185765 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 -7.860552381533142 : 0.9739538361317303 -6.2032082910242785 -2.6312979266405936 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 -7.860660094534741 : 0.9739538361317303 -6.202961996364978 -2.631651934301493 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 -7.8607074497449085 : 0.9739538361317303 -6.202810292692666 -2.6318509931839724 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 -7.860728572894484 : 0.9739538361317303 -6.202713832027848 -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 -7.860738142365879 : 0.9739538361317303 -6.202650690446735 -2.6320412880508735 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 -6.20260833518524 -2.632088047699483 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 -6.2025793685601265 -2.632119073094516 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 -7.860745582058085 : 0.9739538361317303 -6.202559268193996 -2.6321401499958186 91.636578 seconds (26.84 M allocations: 2.840 GiB, 0.57% gc time) Test Summary: | Pass Total Time Quante.jl | 157 157 27m05.3s All tests passed! 8^) Testing Quante tests passed Testing completed after 1631.26s PkgEval succeeded after 1679.26s