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page_type languages products urlFragment description
sample
qsharp
python
csharp
qdk
h2-command-line
This sample demonstrates using Quantum Development Kit to estimate ground state energies of molecular hydrogen.

Modified H2 Simulation Sample

Chris Kang (Readme for the original code below)

To use - run use "dotnet run" in the folder.

My specific code is in Compiled.qs

H₂ Simulation Sample (Command Line)

This sample demonstrates using Q# to estimate the ground state energy of molecular hydrogen (H₂), outputting the results to the command line.

Prerequisites

Running the Sample

This sample can be run in a number of different ways, depending on your preferred environment.

Python in Visual Studio Code or the Command Line

At a terminal, run the following command:

python host.py

C# in Visual Studio Code or the Command Line

At a terminal, run the following command:

dotnet run

C# in Visual Studio 2019

Open the folder containing this sample in Visual Studio ("Open a local folder" from the Getting Started screen or "File → Open → Folder..." from the menu bar) and set H2SimulationSampleCmdLine.csproj as the startup project. Press Start in Visual Studio to run the sample.

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