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Release 0.3.1810
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‎.gitattributes

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*.sh text eol=lf
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###############################################################################
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# Set default behavior for command prompt diff.
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#
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# This is need for earlier builds of msysgit that does not have it on by
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# default for csharp files.
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# Note: This is only used by command line
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# diff behavior for some non-binary formats
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###############################################################################
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#*.cs diff=csharp
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###############################################################################
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# Set the merge driver for project and solution files
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#
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# Merging from the command prompt will add diff markers to the files if there
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# are conflicts (Merging from VS is not affected by the settings below, in VS
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# the diff markers are never inserted). Diff markers may cause the following
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# file extensions to fail to load in VS. An alternative would be to treat
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# these files as binary and thus will always conflict and require user
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# intervention with every merge. To do so, just uncomment the entries below
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###############################################################################
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#*.sln merge=binary
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#*.csproj merge=binary
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#*.vbproj merge=binary
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#*.vcxproj merge=binary
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#*.vcproj merge=binary
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#*.dbproj merge=binary
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#*.fsproj merge=binary
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#*.lsproj merge=binary
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#*.wixproj merge=binary
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#*.modelproj merge=binary
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#*.sqlproj merge=binary
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#*.wwaproj merge=binary
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###############################################################################
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# behavior for image files
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#
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# image files are treated as binary by default.
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###############################################################################
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#*.jpg binary
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#*.png binary
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#*.gif binary
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###############################################################################
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# diff behavior for common document formats
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#
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# Convert binary document formats to text before diffing them. This feature
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# is only available from the command line. Turn it on by uncommenting the
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# entries below.
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###############################################################################
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#*.doc diff=astextplain
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#*.DOC diff=astextplain
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#*.docx diff=astextplain
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#*.DOCX diff=astextplain
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#*.dot diff=astextplain
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#*.DOT diff=astextplain
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#*.pdf diff=astextplain
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#*.PDF diff=astextplain
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#*.rtf diff=astextplain
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#*.RTF diff=astextplain
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*.md diff=text

‎.gitignore

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*.exe
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*.chm
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# These files are generated by bootstrap from a .v.template (version template).
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# Any changes must be done to the corresponding the .v.template file directly
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Microsoft.Quantum.Canon/Microsoft.Quantum.Canon.nuspec
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# Python interop build outputs:
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Interoperability/python/build
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Interoperability/python/dist
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Interoperability/python/qsharp.egg-info
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Interoperability/python/qsharp/version.py
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# test outputs
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TestResults/
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*.qxe

‎.travis.yml

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- g++-4.9
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script:
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- dotnet build QsharpLibraries.sln
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- dotnet test Samples/UnitTesting
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- travis_wait 30 dotnet test LibraryTests
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- dotnet build QSharpSamples.sln

‎Build/step-build-samples.yml

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##
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# Builds, tests & package all libraries.
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##
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steps:
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##
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# Build
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##
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- task: DotNetCoreCLI@2
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displayName: 'Build Samples'
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inputs:
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projects: '$(SamplesRootFolder)/**/*.sln'
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arguments: '-c $(BuildConfiguration) -v n'
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- task: DotNetCoreCLI@2
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displayName: 'Test Samples'
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inputs:
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command: test
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projects: |
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$(SamplesRootFolder)/Samples/src/UnitTesting
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$(SamplesRootFolder)/Samples/tests/SampleTests
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arguments: '-c $(BuildConfiguration) -v n'
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##
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# Check that all integral data sets are valid.
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##
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- task: CondaEnvironment@1
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inputs:
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createCustomEnvironment: true
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environmentName: validator
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packageSpecs: 'python=3 ruamel_yaml jsonschema click'
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displayName: 'Install validator environment.'
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- script: python validator.py ../IntegralData/**/*.yaml broombridge-0.1.schema.json
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workingDirectory: $(SamplesRootFolder)/Chemistry/Schema/
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displayName: 'Validate all Broombridge data files.'

‎Build/step-wrap-up.yml

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##
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# Wrap-up: copy files to artifacts directory and publish
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##
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steps:
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- task: PublishSymbols@1
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displayName: 'Publish symbols path: '
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- task: CopyFiles@2
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displayName: 'Copy Files to: $(build.artifactstagingdirectory)'
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inputs:
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SourceFolder: '$(build.sourcesdirectory)'
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Contents: |
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**\bin\$(BuildConfiguration)\**
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TargetFolder: '$(build.artifactstagingdirectory)'
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condition: succeededOrFailed()
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- task: PublishBuildArtifacts@1
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displayName: 'Publish Artifact: drop'
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inputs:
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PathtoPublish: '$(build.artifactstagingdirectory)'
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condition: succeededOrFailed()
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‎Chemistry/AnalyzeHamiltonian/1-AnalyzeHamiltonian.csproj

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<Project Sdk="Microsoft.NET.Sdk">
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<PropertyGroup>
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<OutputType>Exe</OutputType>
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<TargetFramework>netcoreapp2.0</TargetFramework>
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</PropertyGroup>
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<PropertyGroup Condition="'$(Configuration)|$(Platform)'=='Debug|AnyCPU'">
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<PlatformTarget>x64</PlatformTarget>
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</PropertyGroup>
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<ItemGroup>
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<PackageReference Include="Microsoft.Extensions.Logging" Version="2.1.1" />
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<PackageReference Include="Microsoft.Extensions.Logging.Console" Version="2.1.1" />
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<PackageReference Include="Microsoft.Extensions.Logging.Debug" Version="2.1.1" />
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<PackageReference Include="Microsoft.Quantum.Chemistry" Version="0.3.1810.2508-preview" />
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<PackageReference Include="Microsoft.Quantum.Development.Kit" Version="0.3.1810.2508-preview" />
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</ItemGroup>
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</Project>

‎Chemistry/AnalyzeHamiltonian/Program.cs

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// Copyright (c) Microsoft Corporation. All rights reserved.
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// Licensed under the MIT License.
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using Microsoft.Extensions.Logging;
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using Microsoft.Quantum.Chemistry;
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using System.Linq;
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// This loads a Hamiltonian from file and computes some of its features
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// - L1-Norm of terms
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namespace Microsoft.Quantum.Chemistry.Sample
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{
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class Program
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{
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static void Main(string[] args)
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{
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var logger = Logging.LoggerFactory.CreateLogger<Program>();
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// Directory containing integral data generated by Microsoft.
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//Example Liquid data format files
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/*
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"h2_sto3g_4.dat" // 4 SO
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"B_sto6g.dat" // 10 SO
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"Be_sto6g_10.dat" // 10 SO
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"h2o_sto6g_14.dat" // 14 SO
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"h2s_sto6g_22.dat" // 22 SO
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"co2_sto3g_30.dat" // 30 SO
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"co2_p321_54.dat" // 54 SO
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"fe2s2_sto3g.dat" // 110 SO
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"nitrogenase_tzvp_54.dat" // 108 SO
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*/
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string LiquidRoot = @"..\IntegralData\Liquid\";
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string LiquidFilename = "fe2s2_sto3g.dat";
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// Number of electrons. This must be specified for the liquid format.
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var LiquidElectrons = 2;
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// Directory containing integral data in YAML format.
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string YAMLRoot = @"..\IntegralData\YAML\";
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string YAMLFilename = "lih_sto-3g_0.800_int.yaml";
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// For loading data in the format consumed by Liquid.
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logger.LogInformation($"Processing {LiquidFilename}");
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var generalHamiltonian = FermionHamiltonian.LoadFromLiquid($@"{LiquidRoot}\{LiquidFilename}").Single();
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generalHamiltonian.NElectrons = LiquidElectrons;
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// For loading data in the YAML format.
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//var generalHamiltonian = FermionHamiltonian.LoadFromYAML($@"{YAMLRoot}\{YAMLFilename}").Single();
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// Read Hamiltonian terms from file.
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logger.LogInformation("End read file. Computing one-norms.");
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foreach (var oneNormPair in generalHamiltonian.ComputeOneNorms())
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{
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logger.LogInformation($"One-norm for term type {oneNormPair.Key}: {oneNormPair.Value}");
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}
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logger.LogInformation("Computed one-norm.");
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if (System.Diagnostics.Debugger.IsAttached)
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{
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System.Console.ReadLine();
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}
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}
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}
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}
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