Quickstart¶

After installing PyRETIS, you can run simulations by using a text based input file or by using the PyRETIS library explicitly.

The former approach is perhaps the simplest, but you will first have to learn how to create input files and this is explained in the input description.

The latter option is more involved, but you are then given more freedom in defining, running and interacting with a simulation. In order to make use of the library, you will have to read about the structure of the PyRETIS library in the introduction to the library and in the detailed reference section.

A more extensive overview can be found in the full user guide. Since version 2.4, PyVisA is automatically installed with PyRETIS. Here, we report some examples showing the use of PyRETIS and PyVisA.

Quickstart workflow¶

If you want a short first run before diving into the full guide, the following workflow is a good starting point:

Install PyRETIS in a Python 3.11+ environment:
```
python -m pip install pyretis
```

Check that the command-line tools are available:

pyretisrun --version
pyretisanalyse --version

Pick a small internal example from the example section, such as RETIS in a 1D potential or TIS in a 1D potential.
Run the simulation from the directory containing your input file:
```
pyretisrun -i retis.rst -p
```
Analyse the results from the generated out.rst file:
```
pyretisanalyse -i out.rst
```

After a successful run, you should at least see a log file, an out.rst file, and a report/ directory from the analysis step.