From d3374b054c1ed34c6d7e8f9da5c814524dbe4f1e Mon Sep 17 00:00:00 2001
From: Daniel Pozsar <danielpozsar@student.elte.hu>
Date: Thu, 7 Nov 2024 20:36:46 +0100
Subject: [PATCH] this  was auto generated by claude.ai as a presentation

---
 documentation.md | 60 ++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 60 insertions(+)
 create mode 100644 documentation.md

diff --git a/documentation.md b/documentation.md
new file mode 100644
index 0000000..dda76c2
--- /dev/null
+++ b/documentation.md
@@ -0,0 +1,60 @@
+# grogu_magn Documentation
+
+## Overview
+grogu_magn is a Python package designed for calculating relativistic magnetic interactions from non-orthogonal basis sets. The project is currently in alpha development stage (version 0.0.3).
+
+## Description
+This package provides tools and utilities for working with DFT (Density Functional Theory) calculations and magnetic interactions in physics. It specializes in handling relativistic magnetic interactions within the context of non-orthogonal basis sets.
+
+## Authors
+- Daniel Pozsar (danielpozsar@student.elte.hu)
+- Laszlo Oroszlany (laszlo.oroszlany@ttk.elte.hu)
+
+## System Requirements
+- Python >= 3.9
+- Operating System: Platform independent
+
+## Dependencies
+The package requires the following Python packages:
+- numpy
+- scipy
+- sisl
+- netcdf4
+- openmpi
+- mpi4py
+
+## Installation
+The package uses the `hatchling` build system. Installation details will be provided in the project's repository.
+
+## Project Links
+- Homepage: https://gitea.vo.elte.hu/et209d/grogu
+- Documentation: https://gitea.vo.elte.hu/et209d/grogu
+- Repository: https://gitea.vo.elte.hu/et209d/grogu
+- Issue Tracker: https://gitea.vo.elte.hu/et209d/grogu
+
+## Development Status
+The project is currently in Alpha status (Development Status :: 3 - Alpha), indicating it's in early development phase and may undergo significant changes.
+
+## Testing
+The project uses pytest for testing with the following configurations:
+- Python path is set to "src/grogu_magn/"
+- Includes doctest modules
+- Uses importlib import mode
+
+## Keywords
+- DFT
+- physics
+- grogu
+- magnetic interactions
+
+## License
+This project is licensed under the MIT License.
+
+## Command Line Interface
+The package provides a command-line interface through the `grogu` command:
+```bash
+grogu = "grogu:main"
+```
+
+## Project Structure
+The main package code is located in the `src/grogu_magn/` directory, following modern Python packaging standards.