Commit 569d9ec9 authored by Ivo Filot's avatar Ivo Filot
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Add README.md

parent 1c6a076f
# Prerequisites
This script is intended to be used in an IDE such as [Spyder](https://www.spyder-ide.org/).
For Windows systems, it is recommended to install Spyder as part of the [Anaconda package](https://www.anaconda.com/distribution/#download-section).
# Usage
Open the script in an IDE. The script contains a `main` function. Change the contents
inside the main function and execute the script. To plot the 1s atomic orbital,
the syntax should be something like
```
plot_orbital(1, 0, 0, 15)
```
where in the first three arguments correspond to the quantum numbers `n`, `l`, and `m`,
and the latter argument to the size of the domain (in Bohr units). You can supply an
additional arguments `plane=[xy,yz,xz]` to specify on which plane you wish the contour
plot of the atomic orbital to be generated.
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