Metadata-Version: 2.4
Name: ase-io-aims
Version: 0.0.1
Summary: ase-io-aims is an ase plugin that bridges the gap between FHI-aims and the ase ecosystem
Author-email: Thomas Purcell <purcell@fhi-berlin.mpg.de>, Andrei Sobolev <sobolev@ms1p.org>
Maintainer-email: Thomas Purcell <purcell@fhi-berlin.mpg.de>, Andrei Sobolev <sobolev@ms1p.org>
Project-URL: Homepage, https://gitlab.com/FHI-aims-club/ase-io-aims.git
Project-URL: Issues, https://gitlab.com/FHI-aims-club/ase-io-aims/issues
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: ase
Requires-Dist: pyfhiaims>=0.0.9
Provides-Extra: dev
Requires-Dist: ruff; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest_parametrize_cases; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Dynamic: license-file

# ase-io-aims

This package is an `ASE` plugin that adds support for FHI-aims (aims) IO operations. `ase-io-aims` mimcs the interface of other electronic structure package codes to allow seemless integration of FHI-aims into the `ASE` ecosystem with as little effort as possible, and supports entry-points for the `ASE` read/write functionality.

## Usage

Currently, the package is in pre-alpha. To install it:

`pip install ase-io-aims`

## Contributing

Contributions are welcome! Please see the contributing guide for more information.

## Contributors

   Thomas A. R. Purcell (@tpurcell90): Creator and maintainer.

   Andrey Sobolev (@ansobolev): Creator and maintainer
