sirius

Community

Domain specific library for electronic structure calculations

Copied fromcf-staging / sirius

Versions

Installation

To install this package, run one of the following:

Conda

$conda install conda-forge::sirius

Usage Tracking

Version

5 / 8 versions selected

Downloads (Last 6 months): 0

Description

SIRIUS is a domain specific library for electronic structure calculations. It implements pseudopotential plane wave (PP-PW) and full potential linearized augmented plane wave (FP-LAPW) methods and is designed for GPU acceleration of popular community codes such as Exciting, Elk and Quantum ESPRESSO.

About

Summary

Domain specific library for electronic structure calculations

Last Updated

Dec 8, 2023 at 23:06

License

BSD-2-Clause

Total Downloads

76.9K

Supported Platforms

linux-64

Unsupported Platforms

macOS-64 Last supported version: 7.3.1

Home

https://github.com/electronic-structure/SIRIUS

GitHub Repository

https://github.com/electronic-structure/SIRIUS

Documentation

https://electronic-structure.github.io/SIRIUS-doc/