#ab-initio (4 Repositories)
Ranked open-source repositories tagged with #ab-initio, scored by pull request acceptance likelihood and maintainer engagement velocity.
16.5%
14.3h
4 repositories tagged #ab-initio
JuliaMolSim/DFTK.jl
Density-functional toolkit
abinit/abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group. Note that questions will NOT be treated on github, please use the ABINIT Forum.
pierrehirel/atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
SMTG-Bham/doped
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.