Package evaluation of FreeBird on Julia 1.13.0-DEV.449 (8d6b63c3a6*) started at 2025-04-29T06:38:09.089 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 7.96s ################################################################################ # Installation # Installing FreeBird... Resolving package versions... Installed FreeBird ─ v0.1.0 Updating `~/.julia/environments/v1.13/Project.toml` [b4936512] + FreeBird v0.1.0 Updating `~/.julia/environments/v1.13/Manifest.toml` [a4c015fc] + ANSIColoredPrinters v0.0.1 [1520ce14] + AbstractTrees v0.4.5 [66dad0bd] + AliasTables v1.1.3 [a963bdd2] + AtomsBase v0.5.1 [1692102d] + AtomsIO v0.3.0 [336ed68f] + CSV v0.10.15 [46823bd8] + Chemfiles v0.10.42 [944b1d66] + CodecZlib v0.7.8 [861a8166] + Combinatorics v1.0.2 [34da2185] + Compat v4.16.0 [a8cc5b0e] + Crayons v4.1.1 [9a962f9c] + DataAPI v1.16.0 [a93c6f00] + DataFrames v1.7.0 [864edb3b] + DataStructures v0.18.22 [e2d170a0] + DataValueInterfaces v1.0.0 [31c24e10] + Distributions v0.25.119 [ffbed154] + DocStringExtensions v0.9.4 [e30172f5] + Documenter v1.10.2 [35a29f4d] + DocumenterTools v0.1.20 [352459e4] + ExtXYZ v0.2.2 [48062228] + FilePathsBase v0.9.24 [1a297f60] + FillArrays v1.13.0 [b4936512] + FreeBird v0.1.0 [d7ba0133] + Git v1.3.1 [708ec375] + Gumbo v0.8.3 [34004b35] + HypergeometricFunctions v0.3.28 [b5f81e59] + IOCapture v0.2.5 [842dd82b] + InlineStrings v1.4.3 [41ab1584] + InvertedIndices v1.3.1 [92d709cd] + IrrationalConstants v0.2.4 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [b964fa9f] + LaTeXStrings v1.4.0 [0e77f7df] + LazilyInitializedFields v1.3.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [d0879d2d] + MarkdownAST v0.1.2 [e1d29d7a] + Missings v1.2.0 [bac558e1] + OrderedCollections v1.8.0 [90014a1f] + PDMats v0.11.34 [d96e819e] + Parameters v0.12.3 [69de0a69] + Parsers v2.8.3 [7b2266bf] + PeriodicTable v1.2.1 [2dfb63ee] + PooledArrays v1.4.3 [aea7be01] + PrecompileTools v1.3.2 [21216c6a] + Preferences v1.4.3 [08abe8d2] + PrettyTables v2.4.0 [43287f4e] + PtrArrays v1.3.0 [1fd47b50] + QuadGK v2.11.2 [189a3867] + Reexport v1.2.2 [2792f1a3] + RegistryInstances v0.1.0 [ae029012] + Requires v1.3.1 [79098fc4] + Rmath v0.8.0 [322a6be2] + Sass v0.2.0 [91c51154] + SentinelArrays v1.4.8 [a2af1166] + SortingAlgorithms v1.2.1 [276daf66] + SpecialFunctions v2.5.1 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.0 [2913bbd2] + StatsBase v0.34.4 [4c63d2b9] + StatsFuns v1.5.0 [892a3eda] + StringManipulation v0.4.1 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.0 [3bb67fe8] + TranscodingStreams v0.11.3 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.22.0 [a7773ee8] + UnitfulAtomic v1.0.0 [ea10d353] + WeakRefStrings v1.4.2 [76eceee3] + WorkerUtilities v1.6.1 [78a364fa] + Chemfiles_jll v0.10.4+0 [2e619515] + Expat_jll v2.6.5+0 [f8c6e375] + Git_jll v2.49.0+0 [528830af] + Gumbo_jll v0.10.2+0 [94ce4f54] + Libiconv_jll v1.18.0+0 ⌅ [9bd350c2] + OpenSSH_jll v9.9.2+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [f50d1b31] + Rmath_jll v0.5.1+0 [6ecdc6fc] + extxyz_jll v0.1.3+0 [cdc7adba] + libcleri_jll v0.12.1+3 [47bcb7c8] + libsass_jll v3.6.6+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.12.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.12.0 [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 v1.12.0 [f489334b] + StyledStrings v1.11.0 [4607b0f0] + SuiteSparse [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.12.1+1 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2024.12.31 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.5+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [efcefdf7] + PCRE2_jll v10.44.0+1 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.12.0+0 [8e850ede] + nghttp2_jll v1.65.0+0 [3f19e933] + p7zip_jll v17.5.0+2 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 5.07s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 128.57s ################################################################################ # Testing # Testing FreeBird Status `/tmp/jl_8tBgjC/Project.toml` [a963bdd2] AtomsBase v0.5.1 [1692102d] AtomsIO v0.3.0 [336ed68f] CSV v0.10.15 [861a8166] Combinatorics v1.0.2 [a93c6f00] DataFrames v1.7.0 [31c24e10] Distributions v0.25.119 [e30172f5] Documenter v1.10.2 [35a29f4d] DocumenterTools v0.1.20 [352459e4] ExtXYZ v0.2.2 [b4936512] FreeBird v0.1.0 [d96e819e] Parameters v0.12.3 [189a3867] Reexport v1.2.2 [90137ffa] StaticArrays v1.9.13 [10745b16] Statistics v1.11.1 [1986cc42] Unitful v1.22.0 [a7773ee8] UnitfulAtomic v1.0.0 [37e2e46d] LinearAlgebra v1.12.0 [9a3f8284] Random v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_8tBgjC/Manifest.toml` [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [66dad0bd] AliasTables v1.1.3 [a963bdd2] AtomsBase v0.5.1 [1692102d] AtomsIO v0.3.0 [336ed68f] CSV v0.10.15 [46823bd8] Chemfiles v0.10.42 [944b1d66] CodecZlib v0.7.8 [861a8166] Combinatorics v1.0.2 [34da2185] Compat v4.16.0 [a8cc5b0e] Crayons v4.1.1 [9a962f9c] DataAPI v1.16.0 [a93c6f00] DataFrames v1.7.0 [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [31c24e10] Distributions v0.25.119 [ffbed154] DocStringExtensions v0.9.4 [e30172f5] Documenter v1.10.2 [35a29f4d] DocumenterTools v0.1.20 [352459e4] ExtXYZ v0.2.2 [48062228] FilePathsBase v0.9.24 [1a297f60] FillArrays v1.13.0 [b4936512] FreeBird v0.1.0 [d7ba0133] Git v1.3.1 [708ec375] Gumbo v0.8.3 [34004b35] HypergeometricFunctions v0.3.28 [b5f81e59] IOCapture v0.2.5 [842dd82b] InlineStrings v1.4.3 [41ab1584] InvertedIndices v1.3.1 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [b964fa9f] LaTeXStrings v1.4.0 [0e77f7df] LazilyInitializedFields v1.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [d0879d2d] MarkdownAST v0.1.2 [e1d29d7a] Missings v1.2.0 [bac558e1] OrderedCollections v1.8.0 [90014a1f] PDMats v0.11.34 [d96e819e] Parameters v0.12.3 [69de0a69] Parsers v2.8.3 [7b2266bf] PeriodicTable v1.2.1 [2dfb63ee] PooledArrays v1.4.3 [aea7be01] PrecompileTools v1.3.2 [21216c6a] Preferences v1.4.3 [08abe8d2] PrettyTables v2.4.0 [43287f4e] PtrArrays v1.3.0 [1fd47b50] QuadGK v2.11.2 [189a3867] Reexport v1.2.2 [2792f1a3] RegistryInstances v0.1.0 [ae029012] Requires v1.3.1 [79098fc4] Rmath v0.8.0 [322a6be2] Sass v0.2.0 [91c51154] SentinelArrays v1.4.8 [a2af1166] SortingAlgorithms v1.2.1 [276daf66] SpecialFunctions v2.5.1 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [10745b16] Statistics v1.11.1 [82ae8749] StatsAPI v1.7.0 [2913bbd2] StatsBase v0.34.4 [4c63d2b9] StatsFuns v1.5.0 [892a3eda] StringManipulation v0.4.1 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.0 [3bb67fe8] TranscodingStreams v0.11.3 [3a884ed6] UnPack v1.0.2 [1986cc42] Unitful v1.22.0 [a7773ee8] UnitfulAtomic v1.0.0 [ea10d353] WeakRefStrings v1.4.2 [76eceee3] WorkerUtilities v1.6.1 [78a364fa] Chemfiles_jll v0.10.4+0 [2e619515] Expat_jll v2.6.5+0 [f8c6e375] Git_jll v2.49.0+0 [528830af] Gumbo_jll v0.10.2+0 [94ce4f54] Libiconv_jll v1.18.0+0 ⌅ [9bd350c2] OpenSSH_jll v9.9.2+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [f50d1b31] Rmath_jll v0.5.1+0 [6ecdc6fc] extxyz_jll v0.1.3+0 [cdc7adba] libcleri_jll v0.12.1+3 [47bcb7c8] libsass_jll v3.6.6+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [f43a241f] Downloads v1.7.0 [7b1f6079] FileWatching v1.11.0 [9fa8497b] Future v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.12.0 [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.12.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.12.0 [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 v1.12.0 [f489334b] StyledStrings v1.11.0 [4607b0f0] SuiteSparse [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] LibCURL_jll v8.12.1+1 [e37daf67] LibGit2_jll v1.9.0+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2024.12.31 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.5+0 [458c3c95] OpenSSL_jll v3.0.16+0 [efcefdf7] PCRE2_jll v10.44.0+1 [bea87d4a] SuiteSparse_jll v7.10.1+0 [83775a58] Zlib_jll v1.3.1+2 [8e850b90] libblastrampoline_jll v5.12.0+0 [8e850ede] nghttp2_jll v1.65.0+0 [3f19e933] p7zip_jll v17.5.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 9 sets of GenericLatticeHamiltonian, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 3 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 6 sets of GenericLatticeHamiltonian, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time AbstractHamiltonians Tests | 34 34 19.7s ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time AbstractLiveSets Tests | 49 49 29.8s ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time AbstractPotentials Tests | 106 106 5.4s ┌ Warning: Using ErrorException to test field access is deprecated; use FieldError instead. │ caller = top-level scope at test-AbstractWalkers.jl:2 └ @ Core ~/.julia/packages/FreeBird/bFclB/test/test-AbstractWalkers.jl:2 Test Summary: | Pass Total Time AbstractWalkers Tests | 280 280 19.2s Test Summary: | Pass Total Time AnalysisTools.jl tests | 23 23 10.2s ┌ Info: Creating CompositeLJParameters from a flattened matrix. By specifying │ length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating CompositeLJParameters from the upper triangular part of the matrix. │ By specifying length(ljs) sets of LJParameters, a 3 x 3 matrix is constructed. └ If this was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a flattened matrix. By specifying │ 4 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. Test Summary: | Pass Total Time Energy Evaluation Tests | 70 70 12.1s Test Summary: | Pass Total Time Monte Carlo Moves tests | 99 99 9.8s ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 3 sets of GenericLatticeHamiltonian, a 2 x 2 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. ┌ Info: Creating MLatticeHamiltonian from a vector of GenericLatticeHamiltonian. By specifying │ 6 sets of GenericLatticeHamiltonian, a 3 x 3 matrix is constructed. If this └ was not your intention, please check the documentation or raise an issue. [ Info: Swap move performed at iter: 2, accepted: true [ Info: iter: 2, emax: 4.294887185096741 eV, step_size: 0.121 [ Info: iter: 4, emax: 2.592675356246102 eV, step_size: 0.1464 [ Info: iter: 7, emax: -0.0060413524195417866 eV, step_size: 0.121 [ Info: iter: 9, emax: -0.01646744286180494 eV, step_size: 0.1464 [ Info: iter: 11, emax: -0.026516384138893304 eV, step_size: 0.1772 [ Info: iter: 13, emax: -0.034880463743185354 eV, step_size: 0.2144 [ Info: iter: 15, emax: -0.08800071412895076 eV, step_size: 0.2358 [ Info: iter: 17, emax: -0.09466548823171658 eV, step_size: 0.121 [ Info: iter: 19, emax: -0.09665282205557314 eV, step_size: 0.121 [ Info: iter: 1, emax: -1.0399999999999996 [ Info: iter: 2, emax: -1.0399999999999996 [ Info: iter: 3, emax: -1.0399999999999996 [ Info: iter: 4, emax: -1.0425797416528744 [ Info: iter: 5, emax: -1.0519812583190524 [ Info: iter: 6, emax: -1.0624103255335342 [ Info: iter: 7, emax: -1.0781259243634524 [ Info: iter: 8, emax: -1.0825314552643026 [ Info: iter: 9, emax: -1.0866574587199715 [ Info: iter: 10, emax: -1.087429307866822 [ Info: iter: 11, emax: -1.0878101090842267 [ Info: iter: 12, emax: -1.088095392093344 [ Info: iter: 13, emax: -1.0884044899390959 [ Info: iter: 14, emax: -1.0886323489700735 [ Info: iter: 15, emax: -1.0886695975018517 [ Info: iter: 16, emax: -1.0886731875197957 [ Info: iter: 17, emax: -1.0890109755015809 [ Info: iter: 18, emax: -1.0891789766980677 [ Info: iter: 19, emax: -1.0893947529321906 [ Info: iter: 20, emax: -1.0894496215741505 [ Info: iter: 21, emax: -1.0895937749956737 [ Info: iter: 22, emax: -1.0896213482006063 [ Info: Temperature: 1000.0 K, Equilibration energy: -0.0004769693603974185 eV, Variance: 6.031e-7, Acceptance rate: 1.0, Step size: 0.2288 [ Info: Temperature: 1000.0 K, Energy: -0.0011868301469934882 eV, Variance: 2.215e-6, Cv: 2.57e-8, Acceptance rate: 0.999, Step size: 0.2517 [ Info: Temperature: 900.0 K, Equilibration energy: -0.00034119921712452375 eV, Variance: 4.062e-7, Acceptance rate: 1.0, Step size: 0.2769 [ Info: Temperature: 900.0 K, Energy: -0.0001429152176228159 eV, Variance: 1.444e-8, Cv: 2.069e-10, Acceptance rate: 1.0, Step size: 0.3045 [ Info: Temperature: 800.0 K, Equilibration energy: -0.0004664336002875321 eV, Variance: 5.678e-7, Acceptance rate: 1.0, Step size: 0.335 [ Info: Temperature: 800.0 K, Energy: -0.02368459853063979 eV, Variance: 0.001198, Cv: 2.172e-5, Acceptance rate: 0.96, Step size: 0.3685 [ Info: Temperature: 700.0 K, Equilibration energy: -0.0006766429368673434 eV, Variance: 2.44e-6, Acceptance rate: 1.0, Step size: 0.4053 [ Info: Temperature: 700.0 K, Energy: -0.0007756474022422895 eV, Variance: 3.035e-6, Cv: 7.189e-8, Acceptance rate: 0.999, Step size: 0.4459 [ Info: Temperature: 600.0 K, Equilibration energy: -0.012713546366843454 eV, Variance: 0.0007858, Acceptance rate: 0.96, Step size: 0.4905 [ Info: Temperature: 600.0 K, Energy: -0.006590435648009455 eV, Variance: 0.0003218, Cv: 1.037e-5, Acceptance rate: 0.98, Step size: 0.5395 [ Info: Temperature: 500.0 K, Equilibration energy: -0.0073921402882313435 eV, Variance: 0.0003733, Acceptance rate: 0.979, Step size: 0.5935 [ Info: Temperature: 500.0 K, Energy: -0.05007477788783618 eV, Variance: 0.001426, Cv: 6.621e-5, Acceptance rate: 0.791, Step size: 0.6528 [ Info: Temperature: 1000.0 K, Energy: -0.08762250000000144 eV, Cv: 1.4146992246944108e-7, Acceptance rate: 0.983 [ Info: Temperature: 900.0 K, Energy: -0.08763000000000144 eV, Cv: 1.7435817518258084e-7, Acceptance rate: 0.982 [ Info: Temperature: 800.0 K, Energy: -0.08764500000000144 eV, Cv: 2.199165629835742e-7, Acceptance rate: 0.98 [ Info: Temperature: 700.0 K, Energy: -0.08768250000000144 eV, Cv: 2.8472434096766065e-7, Acceptance rate: 0.976 [ Info: Temperature: 600.0 K, Energy: -0.08778750000000152 eV, Cv: 3.7747898779561587e-7, Acceptance rate: 0.968 [ Info: Temperature: 500.0 K, Energy: -0.0877200000000015 eV, Cv: 5.530023338449102e-7, Acceptance rate: 0.966 [ Info: Iteration: 1, f = 2.718281828459045, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6487212707001282, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6487212707001282, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2840254166877414, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2840254166877414, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1331484530668263, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1331484530668263, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0644944589178595, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0644944589178595, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0317434074991028, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0317434074991028, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0157477085866857, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0157477085866857, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.007843097206448, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.007843097206448, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0039138893383477, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0039138893383477, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0019550335910028, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0019550335910028, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0009770394924165, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0009770394924165, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0004884004786945, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0004884004786945, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0002441704297478, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0002441704297478, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0001220777633837, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0001220777633837, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000061037018933, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000061037018933, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000030518043791, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000030518043791, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000152589054783, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000152589054783, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000007629423635, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000007629423635, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000038147045416, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000038147045416, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000019073504518, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000019073504518, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000009536747712, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000009536747712, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.000000476837272, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.000000476837272, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000002384186075, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000002384186075, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000001192092967, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000001192092967, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000596046466, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000000596046466, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000298023228, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000000298023228, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000149011612, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0000000149011612, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0000000074505806, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 2.7, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6431676725154984, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6431676725154984, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2818610191887023, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2818610191887023, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1321930132219957, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1321930132219957, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0640455879434845, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0640455879434845, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0315258542292987, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0315258542292987, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0156406127313433, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0156406127313433, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0077899645915032, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0077899645915032, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0038874262543103, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0038874262543103, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0019418277795924, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0019418277795924, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0009704430099784, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 2.7, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6431676725154984, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6431676725154984, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2818610191887023, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2818610191887023, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1321930132219957, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1321930132219957, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0640455879434845, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 2.7, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.6431676725154984, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6431676725154984, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.2818610191887023, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2818610191887023, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.1321930132219957, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1321930132219957, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0640455879434845, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0640455879434845, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0315258542292987, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0315258542292987, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0156406127313433, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0156406127313433, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0077899645915032, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0077899645915032, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0038874262543103, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0038874262543103, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0019418277795924, iterations = 1. Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0019418277795924, current_energy = -0.04, acceptance rate = 1.0 [ Info: f = 1.0009704430099784, iterations = 1. Saving the current entropy to entropy.csv Initial energy: 4.294887185096741 eV [ Info: Iteration: 1, f = 2.718281828459045, current_energy = 4.532614630234258 eV, acceptance rate = 0.98 [ Info: Iteration: 2, f = 2.718281828459045, current_energy = 2.642501158677909 eV, acceptance rate = 0.98 ┌ Warning: Maximum number of iterations reached! └ @ FreeBird.SamplingSchemes ~/.julia/packages/FreeBird/bFclB/src/SamplingSchemes/wang_landau.jl:315 Initial energy: 4.294887185096741 eV [ Info: Iteration: 1, f = 2.718281828459045, current_energy = 4.227732443465847 eV, acceptance rate = 1.0 [ Info: Update f = 1.6487212707001282, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.6487212707001282, current_energy = 2.607730659568295 eV, acceptance rate = 1.0 [ Info: Update f = 1.2840254166877414, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.2840254166877414, current_energy = 3.2001755725232544 eV, acceptance rate = 1.0 [ Info: Update f = 1.1331484530668263, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.1331484530668263, current_energy = 1.8413235205537415 eV, acceptance rate = 1.0 [ Info: Update f = 1.0644944589178595, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0644944589178595, current_energy = 2.4615056808787816 eV, acceptance rate = 1.0 [ Info: Update f = 1.0317434074991028, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0317434074991028, current_energy = 1.712163342753376 eV, acceptance rate = 1.0 [ Info: Update f = 1.0157477085866857, iterations = 1 [ Info: Saving the current entropy to entropy.csv [ Info: Iteration: 1, f = 1.0157477085866857, current_energy = 3.029463178045015 eV, acceptance rate = 1.0 [ Info: Update f = 1.007843097206448, iterations = 1 [ Info: Saving the current entropy to entropy.csv Test Summary: | Pass Total Time SamplingSchemes Tests | 209 209 1m11.9s Test Summary: | Pass Total Time FreeBirdIO Tests | 51 51 18.1s Testing FreeBird tests passed Testing completed after 229.44s PkgEval succeeded after 391.38s