Metadata-Version: 2.1
Name: fplore
Version: 0.6.1
Summary: FPLO run evaluation
License: GPLv3
Project-URL: Homepage, https://github.com/mueslo/fplore
Keywords: dft,fplo,physics,chemistry
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: <4,>=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy ~=1.21
Requires-Dist: scipy ~=1.7
Requires-Dist: pymatgen ~=2022.5.19
Requires-Dist: orderedattrdict ~=1.5
Requires-Dist: logbook ~=1.5
Requires-Dist: pyparsing ~=3.0
Requires-Dist: progressbar2 ~=3.38
Requires-Dist: matplotlib ~=3.4
Provides-Extra: docs
Requires-Dist: sphinx ~=7.0 ; extra == 'docs'
Requires-Dist: sphinx-gallery ~=0.13 ; extra == 'docs'
Requires-Dist: Pillow ; extra == 'docs'
Provides-Extra: tests
Requires-Dist: tox ; extra == 'tests'
Provides-Extra: tests-core
Requires-Dist: pytest ~=7.4 ; extra == 'tests-core'
Requires-Dist: pytest-cases ; extra == 'tests-core'
Requires-Dist: pytest-logbook ; extra == 'tests-core'

[![](https://img.shields.io/github/release/mueslo/fplore.svg?style=flat-square)](https://github.com/mueslo/fplore/releases)
[![](https://img.shields.io/pypi/v/fplore.svg?style=flat-square)](https://pypi.org/project/fplore/)
[![](https://img.shields.io/github/actions/workflow/status/mueslo/fplore/tests.yml?branch=master&style=flat-square)](https://github.com/mueslo/fplore/actions/workflows/tests.yml)
[![](https://img.shields.io/readthedocs/fplore.svg?style=flat-square)](https://fplore.readthedocs.io)
[![](https://img.shields.io/github/license/mueslo/fplore.svg?style=flat-square)](https://github.com/mueslo/fplore/blob/master/LICENSE)


# fplore
A python library for [FPLO](https://www.fplo.de/) run evaluation.

:construction: Still a work in progress, syntax may change without notice. :construction:

:raising_hand: If you have completed FPLO runs, It'd be super helpful if you could send them to me so I can test various cases and implement new features. Thanks! Either drop me an e-mail or submit a pull request [here](https://github.com/mueslo/fplore_example_data/).

## Installation

The recommended way to install `fplore` is via the packages made available at PyPI by using the tool `pip`:
 ``pip install fplore``.
 
Ideally, you should never install packages from PyPI as system packages, rather you should use [virtual environments](https://realpython.com/python-virtual-environments-a-primer/). If for some reason `virtualenv` is unavailable to you, installing for your user only (`pip install --user`) is preferable to forced system-wide installation.

## Gallery
[
![Brillouin zone](https://fplore.readthedocs.io/en/latest/_images/sphx_glr_brillouin_zone_thumb.png)
![Band plot](https://fplore.readthedocs.io/en/latest/_images/sphx_glr_band_plot_thumb.png)
![Band projection](https://fplore.readthedocs.io/en/latest/_images/sphx_glr_project_thumb.png)
![Fermi surface projection](https://fplore.readthedocs.io/en/latest/_images/sphx_glr_proj_fermisurf_thumb.png)
](https://fplore.readthedocs.io/en/latest/gallery/)

## Usage

See the documentation at [fplore.readthedocs.io](https://fplore.readthedocs.io/en/latest).


