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QuantumDynamicsCLI

What is QuantumDynamicsCLI?

Simulating the dynamics of quantum systems is a challenging task with a multitude of complicated computational methods. The QuantumDynamics.jl package provides modular open-source implementations of an increasingly growing number of these methods, while remaining a flexible platform for further development. However, owing primarily to its exceptionally flexible nature, the usage of QuantumDynamics.jl happens through short Julia scripts. This means that for the most common simulation jobs, in addition to writing data post-processing scripts, one also needs to effectively rewrite the same simulation code multiple times increasing the chances of errors.

QuantumDynamicsCLI.jl installs a command-line application, qdsim, that leverages the QuantumDynamics.jl package to provide the user with an easy-to-use interface for doing simulations without requiring scripting. After QuantumDynamicsCLI.jl has been installed and built, qdsim is usually placed in $HOME/.julia/bin. Please add this to your PATH environment variable.

Basic Usage

qdsim follows a modular structure. The general syntax is as follows:

> qdsim <component_name> <command_name> <arguments>

Currently, two commands are supported:

  • simulate: gives access to various techniques for simulating the dynamics
  • post: provides post-processing tools for the output

The most important sub-command of simulate is run, and for post is get-observable.

Examples

A series of examples are provided in the examples folder. Below we list the broad ideas covered:

  1. Path Integral Simulation of Dynamics:
    1. Spin-Boson Problem
  2. Hierarchical Equations of Motion:
    1. Fenna-Matthews-Olson Complex

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