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ase-io-aims is an ase plugin that bridges the gap between FHI-aims and the ase ecosystem

Project description

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

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