Ecosyste.ms: Packages

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

spack.io "density-functional-theory" keyword

sirius 7.3.0

Domain specific library for electronic structure calculations
30 versions - Latest release: about 2 years ago - 2 dependent packages - 91 stars on GitHub - 5 maintainers

py-abipy 0.9.3

Python package to automate ABINIT calculations and analyze the results.
2 versions - Latest release: 10 months ago - 91 stars on GitHub - 1 maintainer

Related Keywords

cuda 1 electronic-structure-calculations 1 full-potential 1 gpu 1 lapw 1 mpi 1 planewave 1 pseudopotential 1 rocm 1 abinit 1 materials-informatics 1 materials-science 1 physics 1 python 1 science 1 solid-state-physics 1