this was auto generated by claude.ai as a presentation

class-solution
Daniel Pozsar 2 months ago
parent 3e1ea8366a
commit d3374b054c

@ -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.
Loading…
Cancel
Save