Metadata-Version: 2.2
Name: qeview
Version: 1.0.6
Summary: Quantum Espresso Analysis and Visualization Tool 
Home-page: https://github.com/EgorcaA/QEView
Download-URL: https://github.com/EgorcaA/QEView/archive/main.zip
Author: EgorcaA
Author-email: agapov.em@phystech.edu
License: MIT License, see LICENSE file
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: End Users/Desktop
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: Implementation :: PyPy
Classifier: Programming Language :: Python :: Implementation :: CPython
Description-Content-Type: text/markdown
License-File: LICENCE.txt
Requires-Dist: qeschema
Requires-Dist: tqdm
Requires-Dist: matplotlib
Requires-Dist: numpy
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: download-url
Dynamic: home-page
Dynamic: license
Dynamic: requires-dist
Dynamic: summary

<!-- ABOUT THE PROJECT -->

# QEview  

This tool is designed to streamline the analysis and visualization of results obtained from **Quantum Espresso** simulations, including:

* *Band Structure*
* *Density of States (DOS, pDOS)*
* *Wannier projection using Wannier90*

By simplifying the interpretation of complex data, this package provides an efficient and user-friendly approach while remaining flexible for customization.

### Supported Systems
The package supports:

- *2D and 3D materials*
- *Ferromagnetic (FM) and Paramagnetic (PM) configurations*

### Key Features
* *Visualization*: Generate clear and insightful visual representations of your simulation results.
* *Predefined Visualization Methods*: A simple and intuitive interface for efficient workflow.
* *Wannier90 Hamiltonian Loading*: Enables *band structure interpolation and plotting* for enhanced analysis.


[API documentation](https://qeview.readthedocs.io/en/latest/)

Explore the `user guide` to quickly get up to speed with the tool.

<p align="right">(<a href="#readme-top">back to top</a>)</p>


### Install

  ```sh
  pip install qeview
  ```


<!-- USAGE EXAMPLES -->
### Usage

Define you data document using:
```python
from qeview.qe_analyse_FM import qe_analyse_FM
import qeview.wannier_loader as wnldr 

calc = qe_analyse_FM('./', 'FeCl2')
```
Now you can access basic plots and properties
```python
calc.get_qe_kpathBS()

calc.plot_FullDOS(efrom=-10, eto=10)
calc.plot_pDOS('1', efrom=-10, eto=10, yfrom=-10)
calc.plot_BS(efrom=-5, eto=5)
  ```
