This repository contains some notebooks for QuantumOps.jl and ElectronicStructure.jl.
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The notebooks are a mixture of demonstrations, documentation, etc.
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Most of the notebooks are generated from text files via Literate.jl.
These notebooks are developed using a Python virtual environment, and Julia projects. Here is a way to set it up.
shell> python -m venv ./venv # to create the virtual environment
shell> source ./venv/bin/activate
shell> pip install -r requirements.txt
shell> export PYCALL_JL_RUNTIME_PYTHON=`which python` # tell PyCall which python to use
The last two steps can be done instead via source ./bin/activate_all.sh
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Then start julia
julia>
shell> cd ./source # switched to shell mode
(@v1.7) pkg> activate . # activate project
julia> include("literate_funcs.jl") # load the function to make notebooks
julia> notebook("./quantum_ops_intro.jl") # to process Literate document into notebook