Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

conda-forge.org : sirius

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.

Registry - Source - JSON
purl: pkg:conda/sirius
Keywords: cuda, density-functional-theory, electronic-structure-calculations, full-potential, gpu, lapw, mpi, planewave, pseudopotential, rocm
License: BSD-2-Clause
Latest release: over 2 years ago
First release: about 3 years ago
Dependent packages: 1
Stars: 90 on GitHub
Forks: 32 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: about 23 hours ago

cp2k 9.1.0

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic s...
5 versions - Latest release: about 2 years ago - 574 stars on GitHub