A plane wave density functional theory code.
Project description
eminus
The eminus package is a plane wave density functional theory (DFT) code. It is built upon the DFT++ pragmas, that aim to let programming languages and theory coincide. The goal is to create a simple code that is easy to read and easy to extend while using minimal dependencies.
Documentation
To learn more about the implementation, take a look inside the documentation.
Installation
The package and all necessary dependencies can be installed using pip
pip install eminus
License
This project is licensed under the Apache 2.0 License - see the LICENSE file for details.
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