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fixed documentation
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louisponet committed Apr 20, 2023
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1 change: 1 addition & 0 deletions README.md
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[![Coverage Status](https://coveralls.io/repos/github/louisponet/DFControl.jl/badge.svg?branch=master)](https://coveralls.io/github/louisponet/DFControl.jl?branch=master)
[![](https://img.shields.io/badge/docs-stable-blue.svg)](https://louisponet.github.io/DFControl.jl/stable)
[![](https://img.shields.io/badge/docs-latest-blue.svg)](https://louisponet.github.io/DFControl.jl/dev)
[![Package Downloads](https://shields.io/endpoint?url=https://pkgs.genieframework.com/api/v1/badge/DFControl)](https://pkgs.genieframework.com?packages=DFControl)

This package is a tool to interact with DFT related packages. Currently best support is for Quantum-Espresso and WANNIER90.
The support for Abinit is highly experimental and will get updated very soon.
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5 changes: 1 addition & 4 deletions docs/src/guide/basic_tutorial.jl
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# QE is installed, and to be found in the `/opt/qe/bin`, change this according to your own
# setup. The first argument to the constructor can be used as a label to later retrieve the executable after it was saved.

pw_exec = Exec(name="pw", exec="pw.x", dir="/opt/qe/bin/", flags=Dict("-nk" => 4))

# Additional executable flags can be passed as varargs to the constructor of `Exec`,
# e.g. `Exec("pw.x", "/opt/qe/bin/", :nk => 4, :ndiag => 2)`.
pw_exec = Exec(name="pw", path="/opt/qe/bin/pw.x",flags=Dict("-nk" => 4))

# Then we create the first calculation for our job, we name it scf, which will be used to reference it later.
# We also pass the executables to be used and additional flags to be set to the constructor.
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