FPLO run evaluation

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  • License: GNU General Public License v3 (GPLv3) (GPLv3)
  • Tags dft, fplo, physics, chemistry
  • Requires: Python <4, >=3.8
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Project description

fplore

A python library for FPLO 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.

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. 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 Band plot Band projection Fermi surface projection

Usage

See the documentation at fplore.readthedocs.io.

Project details

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  • License: GNU General Public License v3 (GPLv3) (GPLv3)
  • Tags dft, fplo, physics, chemistry
  • Requires: Python <4, >=3.8
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This version

0.6

0.5

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0.4a1 pre-release

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