Ecosyste.ms: Packages

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

pypi.org "density-functional" keyword

asedftk 0.2.7

DFTK-based calculator for ASE
15 versions - Latest release: almost 3 years ago - 1 dependent repositories - 174 downloads last month - 2 stars on GitHub - 1 maintainer

Related Keywords

theory 1 DFT 1 computational 1 chemistry 1 quantum 1 materials 1 science 1 electronic 1 structure 1 ab-initio 1 pseudopotential 1 analysis 1 ASE 1 DFTK 1 ase 1 atomistic-simulations 1 density-functional-theory 1 dftk 1 electronic-structure 1 julia 1 python 1 simulation 1