https://github.com/mueslo/fplore

:open_file_folder: A library for evaluating data generated by FPLO runs :mortar_board:
https://github.com/mueslo/fplore

chemistry dft fplo materials-science physics

Last synced: about 1 year ago
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:open_file_folder: A library for evaluating data generated by FPLO runs :mortar_board:

• Host: GitHub
• URL: https://github.com/mueslo/fplore
• Owner: mueslo
• License: gpl-3.0
• Created: 2018-03-06T12:43:28.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2025-02-17T12:15:42.000Z (over 1 year ago)
• Last Synced: 2025-03-14T21:46:28.966Z (over 1 year ago)
• Topics: chemistry, dft, fplo, materials-science, physics
• Language: Python
• Homepage:
• Size: 194 KB
• Stars: 2
• Watchers: 2
• Forks: 1
• Open Issues: 5
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
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# 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).