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hexane360 committed Jan 16, 2024
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# atomlib: A modern, extensible library for creating atomic structures
[![][ci-badge]][ci-url] [![][commit-badge]][commit-url] [![][docs-stable-badge]][docs-stable-url] [![][docs-dev-badge]][docs-dev-url]

`atomlib` is a package for creating, modifying, and controlling atomic structures. It draws heavy inspiration from previous tools like [Atomsk][atomsk] and [ASE][ase], but attempts to provide a cleaner, more consistent interface that can be used from Python or a command line.

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[lmp]: https://docs.lammps.org/read_data.html
[qe]: https://www.quantum-espresso.org/Doc/INPUT_PW.html
[pyM]: https://github.com/LeBeauGroup/pyMultislicer

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[docs-dev-url]: https://hexane360.github.io/atomlib/dev/
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[docs-stable-url]: https://hexane360.github.io/atomlib/latest/
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